2,5,8-trimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 2,5,8-trimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one Openeye Name: 2,5,8-trimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one CAS Name: 2,5,8-trimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one IUPAC Name: 2,5,8-trimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one Traditional Name: 2,5,8-trimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-quinolone Formula: C22H25N2O+ MolecularWeight: 333.4467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)NC(=C(C2=O)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)NC(=C(C2=O)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H24N2O/c1-14-8-9-15(2)21-20(14)22(25)19(16(3)23-21)13-24-11-10-17-6-4-5-7-18(17)12-24/h4-9H,10-13H2,1-3H3,(H,23,25)/p+1