N-[(4-ethoxyphenyl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclohexanecarboxamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclohexanecarboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]cyclohexanecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-N-(4-ethoxybenzyl)cyclohexanecarboxamide Formula: C28H39N2O2+ MolecularWeight: 435.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4CCCCC4

InChI

InChI=1S/C28H38N2O2/c1-2-32-27-15-13-24(14-16-27)22-30(28(31)25-11-7-4-8-12-25)26-17-19-29(20-18-26)21-23-9-5-3-6-10-23/h3,5-6,9-10,13-16,25-26H,2,4,7-8,11-12,17-22H2,1H3/p+1