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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H30N2O2/c1-20-7-5-8-21(17-20)19-29-15-13-22(14-16-29)27(30)28-26-12-4-3-11-25(26)23-9-6-10-24(18-23)31-2/h3-12,17-18,22H,13-16,19H2,1-2H3,(H,28,30)/p+1