2-[2-[(E)-2-(3,5-dimethyl-4-phenylmethoxy-phenyl)ethenyl]-6-methoxy-quinolin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[2-[(E)-2-(3,5-dimethyl-4-phenylmethoxy-phenyl)ethenyl]-6-methoxy-quinolin-1-ium-1-yl]ethanamine Openeye Name: 2-[2-[(E)-2-(4-benzyloxy-3,5-dimethyl-phenyl)vinyl]-6-methoxy-quinolin-1-ium-1-yl]ethanamine CAS Name: 2-[2-[(E)-2-(3,5-dimethyl-4-phenylmethoxyphenyl)ethenyl]-6-methoxy-1-quinolin-1-iumyl]ethanamine IUPAC Name: 2-[2-[(E)-2-(3,5-dimethyl-4-phenylmethoxyphenyl)ethenyl]-6-methoxyquinolin-1-ium-1-yl]ethanamine Traditional Name: 2-[2-[(E)-2-(4-benzoxy-3,5-dimethyl-phenyl)vinyl]-6-methoxy-quinolin-1-ium-1-yl]ethylamine Formula: C29H31N2O2+ MolecularWeight: 439.56864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)OC)CCN

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)OC)CCN

InChI

InChI=1S/C29H31N2O2/c1-21-17-24(18-22(2)29(21)33-20-23-7-5-4-6-8-23)9-11-26-12-10-25-19-27(32-3)13-14-28(25)31(26)16-15-30/h4-14,17-19H,15-16,20,30H2,1-3H3/q+1/b11-9+