(E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-methylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(m-tolyl)prop-2-en-1-one CAS Name: (E)-3-[2-(1-azepan-1-iumyl)-3H-inden-1-yl]-1-(3-methylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(m-tolyl)prop-2-en-1-one Formula: C25H28NO+ MolecularWeight: 358.49592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C=CC2=C(CC3=CC=CC=C32)[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C=C/C2=C(CC3=CC=CC=C32)[NH+]4CCCCCC4

InChI

InChI=1S/C25H27NO/c1-19-9-8-11-21(17-19)25(27)14-13-23-22-12-5-4-10-20(22)18-24(23)26-15-6-2-3-7-16-26/h4-5,8-14,17H,2-3,6-7,15-16,18H2,1H3/p+1/b14-13+