(E)-1-(3-methylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3-methylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(m-tolyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one CAS Name: (E)-1-(3-methylphenyl)-3-[2-(1-piperidin-1-iumyl)-3H-inden-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(3-methylphenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(m-tolyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Formula: C24H26NO+ MolecularWeight: 344.46934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO/c1-18-8-7-10-20(16-18)24(26)13-12-22-21-11-4-3-9-19(21)17-23(22)25-14-5-2-6-15-25/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3/p+1/b13-12+