1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-6-methyl-3-piperidin-4-yl-1-propyl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-6-methyl-3-piperidin-4-yl-1-propyl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-6-methyl-3-(4-piperidyl)-1-propyl-quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-6-methyl-3-(4-piperidinyl)-1-propylquinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6,7-diethoxyquinazolin-4-yl)-6-methyl-3-piperidin-4-yl-1-propylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-6-methyl-3-(4-piperidyl)-1-propyl-quinazolin-1-ium-2,4-quinone Formula: C29H35ClN5O4+ MolecularWeight: 553.0723

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C=C(C=C2)C)C(=O)N(C1=O)C3CCNCC3)C4=NC(=NC5=CC(=C(C=C54)OCC)OCC)Cl

Isomeric SMILES

CCC[N+]1(C2=C(C=C(C=C2)C)C(=O)N(C1=O)C3CCNCC3)C4=NC(=NC5=CC(=C(C=C54)OCC)OCC)Cl

InChI

InChI=1S/C29H35ClN5O4/c1-5-14-35(26-20-16-24(38-6-2)25(39-7-3)17-22(20)32-28(30)33-26)23-9-8-18(4)15-21(23)27(36)34(29(35)37)19-10-12-31-13-11-19/h8-9,15-17,19,31H,5-7,10-14H2,1-4H3/q+1