3-methyl-2-oxidanylidene-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 3-methyl-2-oxidanylidene-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide Openeye Name: 3-methyl-2-oxo-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-2-oxo-N-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]-1,3-benzoxazole-6-sulfonamide IUPAC Name: 3-methyl-2-oxo-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-3-methyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4)OC1=O

InChI

InChI=1S/C21H26N4O4S/c1-23-19-9-8-18(16-20(19)29-21(23)26)30(27,28)22-10-5-11-24-12-14-25(15-13-24)17-6-3-2-4-7-17/h2-4,6-9,16,22H,5,10-15H2,1H3/p+1