methyl 2-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(azepan-1-ium-1-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(1-azepan-1-iumylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ium-1-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H21N3O3/c1-23-17(22)12-6-7-13-14(10-12)18-15(19-16(13)21)11-20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,19,21)/p+1