N-cycloheptyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cycloheptyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-cycloheptyl-piperidin-1-ium-4-carboxamide CAS Name: N-cycloheptyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cycloheptyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-N-cycloheptyl-piperidin-1-ium-4-carboxamide Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H38N2O3/c1-32-27-19-23(13-14-26(27)33-21-22-9-5-4-6-10-22)20-30-17-15-24(16-18-30)28(31)29-25-11-7-2-3-8-12-25/h4-6,9-10,13-14,19,24-25H,2-3,7-8,11-12,15-18,20-21H2,1H3,(H,29,31)/p+1