methyl 4-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)14-6-7-16-17(10-14)21-18(22-19(16)24)12-23-9-8-13-4-2-3-5-15(13)11-23/h6-11H,2-5,12H2,1H3/p+1