1-(7-ethoxy-2-morpholin-4-yl-6-oxidanyl-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(7-ethoxy-2-morpholin-4-yl-6-oxidanyl-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(7-ethoxy-6-hydroxy-2-morpholino-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[7-ethoxy-6-hydroxy-2-(4-morpholinyl)-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(7-ethoxy-6-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(7-ethoxy-6-hydroxy-2-morpholino-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C29H35N6O5+ MolecularWeight: 547.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=C(N=C2[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)N6CCOCC6)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=C(N=C2[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)N6CCOCC6)O

InChI

InChI=1S/C29H34N6O5/c1-4-40-25-17-22-20(16-24(25)36)26(32-28(31-22)33-11-13-39-14-12-33)35(3)23-6-5-18(2)15-21(23)27(37)34(29(35)38)19-7-9-30-10-8-19/h5-6,15-17,19,30H,4,7-14H2,1-3H3/p+1