(3S)-N-[3-(3-methylphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(3-methylphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(m-tolyl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(3-methylphenyl)phenyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(3-methylphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(m-tolyl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCC[NH+](C3)CC4=NC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=NC=CS4

InChI

InChI=1S/C23H25N3OS/c1-17-5-2-6-18(13-17)19-7-3-9-21(14-19)25-23(27)20-8-4-11-26(15-20)16-22-24-10-12-28-22/h2-3,5-7,9-10,12-14,20H,4,8,11,15-16H2,1H3,(H,25,27)/p+1/t20-/m0/s1