1-[2-(cyclohexylamino)-6,7-diethoxy-quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione hydrochloride

Systemtic Name: 1-[2-(cyclohexylamino)-6,7-diethoxy-quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione hydrochloride Openeye Name: 1-[2-(cyclohexylamino)-6,7-diethoxy-quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione hydrochloride CAS Name: 1-[2-(cyclohexylamino)-6,7-diethoxy-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione hydrochloride IUPAC Name: 1-[2-(cyclohexylamino)-6,7-diethoxyquinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione hydrochloride Traditional Name: 1-[2-(cyclohexylamino)-6,7-diethoxy-quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone hydrochloride Formula: C33H44ClN6O4+ MolecularWeight: 624.19326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)NC3CCCCC3)[N+]4(C5=C(C=C(C=C5)C)C(=O)N(C4=O)C6CCNCC6)C)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)NC3CCCCC3)[N+]4(C5=C(C=C(C=C5)C)C(=O)N(C4=O)C6CCNCC6)C)OCC.Cl

InChI

InChI=1S/C33H43N6O4.ClH/c1-5-42-28-19-24-26(20-29(28)43-6-2)36-32(35-22-10-8-7-9-11-22)37-30(24)39(4)27-13-12-21(3)18-25(27)31(40)38(33(39)41)23-14-16-34-17-15-23;/h12-13,18-20,22-23,34H,5-11,14-17H2,1-4H3,(H,35,36,37);1H/q+1;