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

Systemtic Name: 1-[6,7-diethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-[6,7-diethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[6,7-diethoxy-2-(propylamino)-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-[6,7-diethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-[6,7-diethoxy-2-(propylamino)quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C30H39N6O4+ MolecularWeight: 547.66846

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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)OCC)OCC

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)OCC)OCC

InChI

InChI=1S/C30H39N6O4/c1-6-13-32-29-33-23-18-26(40-8-3)25(39-7-2)17-21(23)27(34-29)36(5)24-10-9-19(4)16-22(24)28(37)35(30(36)38)20-11-14-31-15-12-20/h9-10,16-18,20,31H,6-8,11-15H2,1-5H3,(H,32,33,34)/q+1