methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylamino]-4-keto-butyric acid methyl ester Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCC1=C([NH+]=CC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)CCC(=O)NCC1=C([NH+]=CC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H23N3O3/c1-26-19(25)9-8-18(24)22-13-16-7-4-11-21-20(16)23-12-10-15-5-2-3-6-17(15)14-23/h2-7,11H,8-10,12-14H2,1H3,(H,22,24)/p+1