N-[2-(3-methoxyphenyl)phenyl]-1-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)phenyl]-1-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)phenyl]-1-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)phenyl]-1-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)phenyl]-1-phenethyl-piperidin-1-ium-4-carboxamide Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-31-24-11-7-10-23(20-24)25-12-5-6-13-26(25)28-27(30)22-15-18-29(19-16-22)17-14-21-8-3-2-4-9-21/h2-13,20,22H,14-19H2,1H3,(H,28,30)/p+1