1-(2-chloranyl-6-methoxy-7-phenylmethoxy-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(2-chloranyl-6-methoxy-7-phenylmethoxy-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(7-benzyloxy-2-chloro-6-methoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6-methoxy-7-phenylmethoxy-4-quinazolinyl)-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6-methoxy-7-phenylmethoxyquinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(7-benzoxy-2-chloro-6-methoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C31H31ClN5O4+ MolecularWeight: 573.06194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC(=NC5=CC(=C(C=C54)OC)OCC6=CC=CC=C6)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC(=NC5=CC(=C(C=C54)OC)OCC6=CC=CC=C6)Cl

InChI

InChI=1S/C31H31ClN5O4/c1-19-9-10-25-23(15-19)29(38)36(21-11-13-33-14-12-21)31(39)37(25,2)28-22-16-26(40-3)27(17-24(22)34-30(32)35-28)41-18-20-7-5-4-6-8-20/h4-10,15-17,21,33H,11-14,18H2,1-3H3/q+1