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

Systemtic Name: 3-methyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: 3-methyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: 3-methyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-3-methyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide Formula: C16H26N4O4S+2 MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C16H24N4O4S/c1-18-8-10-20(11-9-18)7-3-6-17-25(22,23)13-4-5-14-15(12-13)24-16(21)19(14)2/h4-5,12,17H,3,6-11H2,1-2H3/p+2