2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)quinolin-1-ium-4-carboxamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)quinolin-1-ium-4-carboxamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)quinolin-1-ium-4-carboxamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-4-quinolin-1-iumcarboxamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)quinolin-1-ium-4-carboxamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)quinolin-1-ium-4-carboxamide Formula: C26H24N3O2+ MolecularWeight: 410.48766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=[NH+]C3=CC=CC=C32)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=[NH+]C3=CC=CC=C32)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H23N3O2/c1-31-21-12-10-20(11-13-21)27-26(30)23-16-25(28-24-9-5-4-8-22(23)24)29-15-14-18-6-2-3-7-19(18)17-29/h2-13,16H,14-15,17H2,1H3,(H,27,30)/p+1