5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propan-2-yl-phenol

Systemtic Name: 5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenol CAS Name: 5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propan-2-ylphenol IUPAC Name: 5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propan-2-ylphenol Traditional Name: 4-isopropyl-5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phenol Formula: C22H28NO+ MolecularWeight: 322.46382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(=CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(=CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H27NO/c1-16(2)21-14-20(22(24)13-17(21)3)15-23-11-9-19(10-12-23)18-7-5-4-6-8-18/h4-9,13-14,16,24H,10-12,15H2,1-3H3/p+1