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

Systemtic Name: 2-oxidanylidene-N-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: 2-oxo-N-[3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C22H27N3O4S/c26-22-24-20-8-7-19(16-21(20)29-22)30(27,28)23-11-4-12-25-13-9-18(10-14-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18,23H,4,9-15H2,(H,24,26)/p+1