2-[4-[(E)-2-(4-methoxy-3-phenylmethoxy-phenyl)ethenyl]-2-(4-methylpyridin-2-yl)pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[4-[(E)-2-(4-methoxy-3-phenylmethoxy-phenyl)ethenyl]-2-(4-methylpyridin-2-yl)pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[4-[(E)-2-(3-benzyloxy-4-methoxy-phenyl)vinyl]-2-(4-methyl-2-pyridyl)pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-(4-methyl-2-pyridinyl)-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-(4-methylpyridin-2-yl)pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[4-[(E)-2-(3-benzoxy-4-methoxy-phenyl)vinyl]-2-(4-methyl-2-pyridyl)pyridin-1-ium-1-yl]ethylamine Formula: C29H30N3O2+ MolecularWeight: 452.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)C=CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)CCN

Isomeric SMILES

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)/C=C/C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)CCN

InChI

InChI=1S/C29H30N3O2/c1-22-12-15-31-26(18-22)27-19-24(13-16-32(27)17-14-30)9-8-23-10-11-28(33-2)29(20-23)34-21-25-6-4-3-5-7-25/h3-13,15-16,18-20H,14,17,21,30H2,1-2H3/q+1/b9-8+