4-[(E)-2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethenyl]-1-methyl-pyridin-1-ium

Systemtic Name: 4-[(E)-2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(E)-2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-1-methyl-pyridin-1-ium Formula: C17H21N2+ MolecularWeight: 253.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC3=CC=[N+](C=C3)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C3=CC=[N+](C=C3)C

InChI

InChI=1S/C17H21N2/c1-13-12-16(14(2)19(13)17-6-7-17)5-4-15-8-10-18(3)11-9-15/h4-5,8-12,17H,6-7H2,1-3H3/q+1