[(2S)-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-3-(methylthio)propyl]ammonium Formula: C16H28N4OS+2 MolecularWeight: 324.48472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C16H26N4OS/c1-19-8-10-20(11-9-19)14-5-3-13(4-6-14)18-16(21)15(17)7-12-22-2/h3-6,15H,7-12,17H2,1-2H3,(H,18,21)/p+2/t15-/m0/s1