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

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-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=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=NC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-28-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(27)19-5-3-12-26(15-19)16-22-24-11-13-29-22/h2,4,6-11,13-14,19H,3,5,12,15-16H2,1H3,(H,25,27)/p+1/t19-/m0/s1