1-[1-[4-[(E)-3-azanylprop-1-enyl]phenyl]-2,5-dimethyl-pyrrol-1-ium-1-yl]ethanone ethanoate

Systemtic Name: 1-[1-[4-[(E)-3-azanylprop-1-enyl]phenyl]-2,5-dimethyl-pyrrol-1-ium-1-yl]ethanone ethanoate Openeye Name: 1-[1-[4-[(E)-3-aminoprop-1-enyl]phenyl]-2,5-dimethyl-pyrrol-1-ium-1-yl]ethanone acetate CAS Name: 1-[1-[4-[(E)-3-aminoprop-1-enyl]phenyl]-2,5-dimethyl-1-pyrrol-1-iumyl]ethanone acetate IUPAC Name: 1-[1-[4-[(E)-3-aminoprop-1-enyl]phenyl]-2,5-dimethylpyrrol-1-ium-1-yl]ethanone acetate Traditional Name: 1-[1-[4-[(E)-3-aminoprop-1-enyl]phenyl]-2,5-dimethyl-pyrrol-1-ium-1-yl]ethanone acetate Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C([N+]1(C2=CC=C(C=C2)C=CCN)C(=O)C)C.CC(=O)[O-]

Isomeric SMILES

CC1=CC=C([N+]1(C2=CC=C(C=C2)/C=C/CN)C(=O)C)C.CC(=O)[O-]

InChI

InChI=1S/C17H21N2O.C2H4O2/c1-13-6-7-14(2)19(13,15(3)20)17-10-8-16(9-11-17)5-4-12-18;1-2(3)4/h4-11H,12,18H2,1-3H3;1H3,(H,3,4)/q+1;/p-1/b5-4+;