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

Systemtic Name: 1-[2-(cyclooctylamino)-6,7-diethoxy-quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione hydrochloride Openeye Name: 1-[2-(cyclooctylamino)-6,7-diethoxy-quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione hydrochloride CAS Name: 1-[2-(cyclooctylamino)-6,7-diethoxy-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione hydrochloride IUPAC Name: 1-[2-(cyclooctylamino)-6,7-diethoxyquinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione hydrochloride Traditional Name: 1-[2-(cyclooctylamino)-6,7-diethoxy-quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone hydrochloride Formula: C35H48ClN6O4+ MolecularWeight: 652.24642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)NC3CCCCCCC3)[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)NC3CCCCCCC3)[N+]4(C5=C(C=C(C=C5)C)C(=O)N(C4=O)C6CCNCC6)C)OCC.Cl

InChI

InChI=1S/C35H47N6O4.ClH/c1-5-44-30-21-26-28(22-31(30)45-6-2)38-34(37-24-12-10-8-7-9-11-13-24)39-32(26)41(4)29-15-14-23(3)20-27(29)33(42)40(35(41)43)25-16-18-36-19-17-25;/h14-15,20-22,24-25,36H,5-13,16-19H2,1-4H3,(H,37,38,39);1H/q+1;