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

Systemtic Name: 2-[2-(4-methylpyridin-2-yl)-4-[(E)-2-(3-phenoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[2-(4-methyl-2-pyridyl)-4-[(E)-2-(3-phenoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[2-(4-methyl-2-pyridinyl)-4-[(E)-2-(3-phenoxyphenyl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[2-(4-methylpyridin-2-yl)-4-[(E)-2-(3-phenoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[2-(4-methyl-2-pyridyl)-4-[(E)-2-(3-phenoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethylamine Formula: C27H26N3O+ MolecularWeight: 408.51484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)C=CC3=CC(=CC=C3)OC4=CC=CC=C4)CCN

Isomeric SMILES

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4)CCN

InChI

InChI=1S/C27H26N3O/c1-21-12-15-29-26(18-21)27-20-23(13-16-30(27)17-14-28)11-10-22-6-5-9-25(19-22)31-24-7-3-2-4-8-24/h2-13,15-16,18-20H,14,17,28H2,1H3/q+1/b11-10+