1-methyl-4-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]-4aH-quinolin-1-ium-7-one

Systemtic Name: 1-methyl-4-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]-4aH-quinolin-1-ium-7-one Openeye Name: 4-[(E)-2-(4-isopropoxyphenyl)vinyl]-1-methyl-4aH-quinolin-1-ium-7-one CAS Name: 1-methyl-4-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]-4aH-quinolin-1-ium-7-one IUPAC Name: 1-methyl-4-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]-4aH-quinolin-1-ium-7-one Traditional Name: 4-[(E)-2-(4-isopropoxyphenyl)vinyl]-1-methyl-4aH-quinolin-1-ium-7-one Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=CC2=CC=[N+](C3=CC(=O)C=CC23)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C/C2=CC=[N+](C3=CC(=O)C=CC23)C

InChI

InChI=1S/C21H22NO2/c1-15(2)24-19-9-5-16(6-10-19)4-7-17-12-13-22(3)21-14-18(23)8-11-20(17)21/h4-15,20H,1-3H3/q+1/b7-4+