2-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-4-[[4-(4,6,7-trimethyl-2-quinazolinyl)-1,4-diazepan-1-ium-1-yl]methyl]phenol IUPAC Name: 2-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC(=C(C=C4)O)OC)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC(=C(C=C4)O)OC)C)C

InChI

InChI=1S/C24H30N4O2/c1-16-12-20-18(3)25-24(26-21(20)13-17(16)2)28-9-5-8-27(10-11-28)15-19-6-7-22(29)23(14-19)30-4/h6-7,12-14,29H,5,8-11,15H2,1-4H3/p+1