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

Systemtic Name: 1-(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-6-methoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6-methoxy-7-phenylmethoxy-4-quinazolinyl)-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(7-benzoxy-6-methoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C31H32N5O4+ MolecularWeight: 538.61688

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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

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

InChI

InChI=1S/C31H32N5O4/c1-20-9-10-26-24(15-20)30(37)35(22-11-13-32-14-12-22)31(38)36(26,2)29-23-16-27(39-3)28(17-25(23)33-19-34-29)40-18-21-7-5-4-6-8-21/h4-10,15-17,19,22,32H,11-14,18H2,1-3H3/q+1