(3S)-N-(3-pyrazol-1-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1-pyrazolyl)phenyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC=CS2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC=CS2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C19H21N5OS/c25-19(15-4-2-9-23(13-15)14-18-20-8-11-26-18)22-16-5-1-6-17(12-16)24-10-3-7-21-24/h1,3,5-8,10-12,15H,2,4,9,13-14H2,(H,22,25)/p+1/t15-/m0/s1