2-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: 2-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O4S/c23-19-20-17-7-6-16(12-18(17)26-19)27(24,25)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,21H,8-11,13H2,(H,20,23)/p+1