ethanedioate; 1-(2-methylphenyl)-3-(1-prop-2-enylpiperidin-4-yl)isoquinoline

Systemtic Name: ethanedioate; 1-(2-methylphenyl)-3-(1-prop-2-enylpiperidin-4-yl)isoquinoline Openeye Name: 3-(1-allyl-4-piperidyl)-1-(o-tolyl)isoquinoline; oxalate CAS Name: 1-(2-methylphenyl)-3-(1-prop-2-enyl-4-piperidinyl)isoquinoline; oxalate IUPAC Name: 1-(2-methylphenyl)-3-(1-prop-2-enylpiperidin-4-yl)isoquinoline; oxalate Traditional Name: 3-(1-allyl-4-piperidyl)-1-(o-tolyl)isoquinoline; oxalate Formula: C26H26N2O4-2 MolecularWeight: 430.49564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CC3=CC=CC=C32)C4CCN(CC4)CC=C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CC3=CC=CC=C32)C4CCN(CC4)CC=C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C24H26N2.C2H2O4/c1-3-14-26-15-12-19(13-16-26)23-17-20-9-5-7-11-22(20)24(25-23)21-10-6-4-8-18(21)2;3-1(4)2(5)6/h3-11,17,19H,1,12-16H2,2H3;(H,3,4)(H,5,6)/p-2