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

Systemtic Name: [(2S,3S)-3-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]butyl]ammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O/c1-4-13(2)16(18)17(22)19-14-5-7-15(8-6-14)21-11-9-20(3)10-12-21/h5-8,13,16H,4,9-12,18H2,1-3H3,(H,19,22)/p+2/t13-,16-/m0/s1