6-ethyl-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 6-ethyl-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one Openeye Name: 6-ethyl-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one CAS Name: 6-ethyl-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one IUPAC Name: 6-ethyl-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one Traditional Name: 6-ethyl-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-quinolone Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

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