4-methyl-N-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-oxo-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propyl]-4-methyl-benzenesulfonamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-16-2-4-18(5-3-16)27(24,25)20-8-6-19(23)22-11-9-21(10-12-22)14-17-7-13-26-15-17/h2-5,7,13,15,20H,6,8-12,14H2,1H3/p+1