N-[4-(3-methylphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(m-tolyl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-(2-thiazolylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(m-tolyl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=NC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=NC=CS4

InChI

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