1-[4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO2/c1-16(23)19-8-9-21(24-2)20(14-19)15-22-12-10-18(11-13-22)17-6-4-3-5-7-17/h3-10,14H,11-13,15H2,1-2H3/p+1