butanedioate; 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-(4-methylphenyl)propan-1-one

Systemtic Name: butanedioate; 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-(4-methylphenyl)propan-1-one Openeye Name: butanedioate; 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-(p-tolyl)propan-1-one CAS Name: butanedioate; 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-(4-methylphenyl)-1-propanone IUPAC Name: butanedioate; 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-(4-methylphenyl)propan-1-one Traditional Name: 2-(3-methyl-4-imidazolin-3-ium-1-yl)-1-(p-tolyl)propan-1-one; succinate Formula: C32H42N4O6 MolecularWeight: 578.69908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)N2C[NH+](C=C2)C.CC1=CC=C(C=C1)C(=O)C(C)N2C[NH+](C=C2)C.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)N2C[NH+](C=C2)C.CC1=CC=C(C=C1)C(=O)C(C)N2C[NH+](C=C2)C.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C14H18N2O.C4H6O4/c2*1-11-4-6-13(7-5-11)14(17)12(2)16-9-8-15(3)10-16;5-3(6)1-2-4(7)8/h2*4-9,12H,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)