methyl 1-[6,7-dimethoxy-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6,7-dimethoxy-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6,7-dimethoxy-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6,7-dimethoxy-2-(4-thiomorpholin-4-iumylmethyl)-4-quinazolinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6,7-dimethoxy-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6,7-dimethoxy-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]isonipecotic acid methyl ester Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCSCC3)N4CCC(CC4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCSCC3)N4CCC(CC4)C(=O)OC)OC

InChI

InChI=1S/C22H30N4O4S/c1-28-18-12-16-17(13-19(18)29-2)23-20(14-25-8-10-31-11-9-25)24-21(16)26-6-4-15(5-7-26)22(27)30-3/h12-13,15H,4-11,14H2,1-3H3/p+1