3-(4-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]-3-(p-tolyl)propan-1-one Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H30N4O3S/c1-17-3-5-18(6-4-17)7-8-19(24)21-11-15-23(16-12-21)27(25,26)22-13-9-20(2)10-14-22/h3-6H,7-16H2,1-2H3/p+1