[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methanone Openeye Name: [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(4-benzyloxy-3,5-dimethoxy-phenyl)methanone CAS Name: [1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazin-1-iumyl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone IUPAC Name: [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-ium-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone Traditional Name: [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(4-benzoxy-3,5-dimethoxy-phenyl)methanone Formula: C30H34N5O6+ MolecularWeight: 560.62086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)[N+]3(CCNCC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)[N+]3(CCNCC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

InChI

InChI=1S/C30H34N5O6/c1-37-23-16-21-22(17-24(23)38-2)33-30(34-28(21)31)35(12-10-32-11-13-35)29(36)20-14-25(39-3)27(26(15-20)40-4)41-18-19-8-6-5-7-9-19/h5-9,14-17,32H,10-13,18H2,1-4H3,(H2,31,33,34)/q+1