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

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CC4=NC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)CC4=NC=CS4

InChI

InChI=1S/C23H25N3O2S/c1-28-19-10-8-17(9-11-19)20-6-2-3-7-21(20)25-23(27)18-5-4-13-26(15-18)16-22-24-12-14-29-22/h2-3,6-12,14,18H,4-5,13,15-16H2,1H3,(H,25,27)/p+1/t18-/m0/s1