1-[6,7-dimethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-[6,7-dimethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-[6,7-dimethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[6,7-dimethoxy-2-(propylamino)-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-[6,7-dimethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-[6,7-dimethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C28H35N6O4+ MolecularWeight: 519.6153

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=CC(=C(C=C2C(=N1)[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)OC)OC

Isomeric SMILES

CCCNC1=NC2=CC(=C(C=C2C(=N1)[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)OC)OC

InChI

InChI=1S/C28H35N6O4/c1-6-11-30-27-31-21-16-24(38-5)23(37-4)15-19(21)25(32-27)34(3)22-8-7-17(2)14-20(22)26(35)33(28(34)36)18-9-12-29-13-10-18/h7-8,14-16,18,29H,6,9-13H2,1-5H3,(H,30,31,32)/q+1