6,7-dimethoxy-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenyl-quinazoline

Systemtic Name: 6,7-dimethoxy-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenyl-quinazoline Openeye Name: 6,7-dimethoxy-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenyl-quinazoline CAS Name: 6,7-dimethoxy-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenylquinazoline IUPAC Name: 6,7-dimethoxy-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenylquinazoline Traditional Name: 6,7-dimethoxy-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenyl-quinazoline Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-25-10-7-11-26(13-12-25)22-17-14-19(27-2)20(28-3)15-18(17)23-21(24-22)16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3/p+1