1-[[3-[[(3S)-1-cyclohexylcarbonylpiperidin-3-yl]methoxy]-4-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-[[(3S)-1-cyclohexylcarbonylpiperidin-3-yl]methoxy]-4-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-[[(3S)-1-(cyclohexanecarbonyl)-3-piperidyl]methoxy]-4-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-[[(3S)-1-[cyclohexyl(oxo)methyl]-3-piperidinyl]methoxy]-4-methoxyphenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-[[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-4-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-[[(3S)-1-(cyclohexanecarbonyl)-3-piperidyl]methoxy]-4-methoxy-benzyl]piperidin-1-ium-4-carboxamide Formula: C27H42N3O4+ MolecularWeight: 472.64008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N)OCC3CCCN(C3)C(=O)C4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N)OC[C@H]3CCCN(C3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H41N3O4/c1-33-24-10-9-20(17-29-14-11-22(12-15-29)26(28)31)16-25(24)34-19-21-6-5-13-30(18-21)27(32)23-7-3-2-4-8-23/h9-10,16,21-23H,2-8,11-15,17-19H2,1H3,(H2,28,31)/p+1/t21-/m0/s1