methyl 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinoline-3-carboxylic acid methyl ester Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC4=CC=CC=C4C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC4=CC=CC=C4C3)C(=O)OC

InChI

InChI=1S/C22H22N2O2/c1-15-18-9-5-6-10-19(18)23-20(21(15)22(25)26-2)14-24-12-11-16-7-3-4-8-17(16)13-24/h3-10H,11-14H2,1-2H3/p+1