(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(4-quinolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(4-quinolinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(4-quinolylmethyl)piperidin-1-ium-3-carboxamide Formula: C29H30N3O2+ MolecularWeight: 452.5674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C29H29N3O2/c1-34-24-14-12-21(13-15-24)25-8-3-5-11-28(25)31-29(33)23-7-6-18-32(20-23)19-22-16-17-30-27-10-4-2-9-26(22)27/h2-5,8-17,23H,6-7,18-20H2,1H3,(H,31,33)/p+1/t23-/m0/s1