methyl 3-[ethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]benzoate

Systemtic Name: methyl 3-[ethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]benzoate Openeye Name: methyl 3-[ethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]carbamoyl]benzoate CAS Name: 3-[[ethyl-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[ethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]benzoate Traditional Name: 3-[ethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]carbamoyl]benzoic acid methyl ester Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C23H35N3O3/c1-4-25(22(27)19-6-5-7-20(16-19)23(28)29-3)17-18-8-14-26(15-9-18)21-10-12-24(2)13-11-21/h5-7,16,18,21H,4,8-15,17H2,1-3H3/p+1