dimethyl 5-[3-[4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-1-yl]propylcarbamoylamino]-4,6-dimethyl-6-pyridin-4-yl-cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-[4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-1-yl]propylcarbamoylamino]-4,6-dimethyl-6-pyridin-4-yl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-1-yl]propylcarbamoylamino]-4,6-dimethyl-6-(4-pyridyl)cyclohex-3-ene-1,3-dicarboxylate CAS Name: 5-[[[3-[4-(3-methoxyphenyl)-1-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]amino]-4,6-dimethyl-6-pyridin-4-ylcyclohex-3-ene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[4-(3-methoxyphenyl)-1-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4,6-dimethyl-6-pyridin-4-ylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: 5-[3-[4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-1-yl]propylcarbamoylamino]-4,6-dimethyl-6-(4-pyridyl)cyclohex-3-ene-1,3-dicarboxylic acid dimethyl ester Formula: C34H47N4O6+ MolecularWeight: 607.76018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1NC(=O)NCCC[N+]2(CCC(CC2)C3=CC(=CC=C3)OC)C)(C)C4=CC=NC=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(CC(C(C1NC(=O)NCCC[N+]2(CCC(CC2)C3=CC(=CC=C3)OC)C)(C)C4=CC=NC=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C34H46N4O6/c1-23-28(31(39)43-5)22-29(32(40)44-6)34(2,26-11-16-35-17-12-26)30(23)37-33(41)36-15-8-18-38(3)19-13-24(14-20-38)25-9-7-10-27(21-25)42-4/h7,9-12,16-17,21,24,29-30H,8,13-15,18-20,22H2,1-6H3,(H-,36,37,41)/p+1