(Z)-3-(3-methylimidazol-3-ium-1-yl)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-2-en-1-one

Systemtic Name: (Z)-3-(3-methylimidazol-3-ium-1-yl)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-2-en-1-one Openeye Name: (Z)-3-(3-methylimidazol-3-ium-1-yl)-1-(p-tolyl)-3-pyrrolidin-1-yl-prop-2-en-1-one CAS Name: (Z)-3-(3-methyl-1-imidazol-3-iumyl)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-2-propen-1-one IUPAC Name: (Z)-3-(3-methylimidazol-3-ium-1-yl)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-2-en-1-one Traditional Name: (Z)-3-(3-methylimidazol-3-ium-1-yl)-1-(p-tolyl)-3-pyrrolidino-prop-2-en-1-one Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C(N2CCCC2)N3C=C[N+](=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C(/N2CCCC2)\N3C=C[N+](=C3)C

InChI

InChI=1S/C18H22N3O/c1-15-5-7-16(8-6-15)17(22)13-18(20-9-3-4-10-20)21-12-11-19(2)14-21/h5-8,11-14H,3-4,9-10H2,1-2H3/q+1/b18-13-