[(2S)-3-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]propyl]ammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C16H26N4O/c1-12(2)15(17)16(21)18-13-4-6-14(7-5-13)20-10-8-19(3)9-11-20/h4-7,12,15H,8-11,17H2,1-3H3,(H,18,21)/p+2/t15-/m0/s1