2-(1,4-diethoxy-2-phenyl-piperidin-1-ium-1-yl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride

Systemtic Name: 2-(1,4-diethoxy-2-phenyl-piperidin-1-ium-1-yl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: 2-(1,4-diethoxy-2-phenyl-piperidin-1-ium-1-yl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: 2-(1,4-diethoxy-2-phenyl-1-piperidin-1-iumyl)-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: 2-(1,4-diethoxy-2-phenylpiperidin-1-ium-1-yl)-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: [2-(1,4-diethoxy-2-phenyl-piperidin-1-ium-1-yl)-6,7-dimethoxy-quinazolin-4-yl]amine hydrochloride Formula: C25H34ClN4O4+ MolecularWeight: 490.01486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC[N+](C(C1)C2=CC=CC=C2)(C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)OCC.Cl

Isomeric SMILES

CCOC1CC[N+](C(C1)C2=CC=CC=C2)(C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)OCC.Cl

InChI

InChI=1S/C25H33N4O4.ClH/c1-5-32-18-12-13-29(33-6-2,21(14-18)17-10-8-7-9-11-17)25-27-20-16-23(31-4)22(30-3)15-19(20)24(26)28-25;/h7-11,15-16,18,21H,5-6,12-14H2,1-4H3,(H2,26,27,28);1H/q+1;