(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-4-(4-propan-2-ylphenyl)butanoate

Systemtic Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-4-(4-propan-2-ylphenyl)butanoate Openeye Name: (2R)-4-(4-isopropylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxo-4-(4-propan-2-ylphenyl)butanoate IUPAC Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)-4-p-cumenyl-butyrate Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C18H26N2O3/c1-13(2)14-4-6-15(7-5-14)17(21)12-16(18(22)23)20-10-8-19(3)9-11-20/h4-7,13,16H,8-12H2,1-3H3,(H,22,23)/p+1/t16-/m1/s1