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

Systemtic Name: methyl 2-(azocan-1-ium-1-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(azocan-1-ium-1-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(1-azocan-1-iumylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ium-1-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C18H23N3O3/c1-24-18(23)13-7-8-14-15(11-13)19-16(20-17(14)22)12-21-9-5-3-2-4-6-10-21/h7-8,11H,2-6,9-10,12H2,1H3,(H,19,20,22)/p+1