N-cycloheptyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cycloheptyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-N-cycloheptyl-piperidin-1-ium-4-carboxamide CAS Name: N-cycloheptyl-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cycloheptyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxybenzyl)-N-cycloheptyl-piperidin-1-ium-4-carboxamide Formula: C27H37N2O2+ MolecularWeight: 421.59488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H36N2O2/c30-27(28-25-10-6-1-2-7-11-25)24-16-18-29(19-17-24)20-22-12-14-26(15-13-22)31-21-23-8-4-3-5-9-23/h3-5,8-9,12-15,24-25H,1-2,6-7,10-11,16-21H2,(H,28,30)/p+1