1-(1,3-benzothiazol-2-ylmethyl)-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O2S/c24-17-7-3-1-5-15(17)22-20(25)14-9-11-23(12-10-14)13-19-21-16-6-2-4-8-18(16)26-19/h1-8,14,24H,9-13H2,(H,22,25)/p+1