3-[(E)-2-[1-(2-azanylethyl)-6-methoxy-quinolin-1-ium-2-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-2-[1-(2-azanylethyl)-6-methoxy-quinolin-1-ium-2-yl]ethenyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-[1-(2-aminoethyl)-6-methoxy-quinolin-1-ium-2-yl]vinyl]benzonitrile CAS Name: 3-[(E)-2-[1-(2-aminoethyl)-6-methoxy-2-quinolin-1-iumyl]ethenyl]benzonitrile IUPAC Name: 3-[(E)-2-[1-(2-aminoethyl)-6-methoxyquinolin-1-ium-2-yl]ethenyl]benzonitrile Traditional Name: 3-[(E)-2-[1-(2-aminoethyl)-6-methoxy-quinolin-1-ium-2-yl]vinyl]benzonitrile Formula: C21H20N3O+ MolecularWeight: 330.403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC=CC(=C3)C#N)CCN

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC=CC(=C3)C#N)CCN

InChI

InChI=1S/C21H20N3O/c1-25-20-9-10-21-18(14-20)6-8-19(24(21)12-11-22)7-5-16-3-2-4-17(13-16)15-23/h2-10,13-14H,11-12,22H2,1H3/q+1/b7-5+