(2R)-4-[(4-dimethylaminophenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)NC2=CC=C(C=C2)N(C)C)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=C(C=C2)N(C)C)C(=O)[O-]

InChI

InChI=1S/C17H26N4O3/c1-19(2)14-6-4-13(5-7-14)18-16(22)12-15(17(23)24)21-10-8-20(3)9-11-21/h4-7,15H,8-12H2,1-3H3,(H,18,22)(H,23,24)/p+1/t15-/m1/s1