(E)-1-(2,4-dimethylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(2,4-dimethylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(2,4-dimethylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one CAS Name: (E)-1-(2,4-dimethylphenyl)-3-[2-(1-piperidin-1-iumyl)-3H-inden-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(2,4-dimethylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(2,4-dimethylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Formula: C25H28NO+ MolecularWeight: 358.49592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C=CC2=C(CC3=CC=CC=C32)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)/C=C/C2=C(CC3=CC=CC=C32)[NH+]4CCCCC4)C

InChI

InChI=1S/C25H27NO/c1-18-10-11-21(19(2)16-18)25(27)13-12-23-22-9-5-4-8-20(22)17-24(23)26-14-6-3-7-15-26/h4-5,8-13,16H,3,6-7,14-15,17H2,1-2H3/p+1/b13-12+