(2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: (2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: (2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-2-phenyl-butan-1-one CAS Name: (2S)-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: (2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-2-phenylbutan-1-one Traditional Name: (2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]-2-phenyl-butan-1-one Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3S/c1-3-18(17-7-5-4-6-8-17)19(24)21-11-15-23(16-12-21)27(25,26)22-13-9-20(2)10-14-22/h4-8,18H,3,9-16H2,1-2H3/p+1/t18-/m0/s1