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

Systemtic Name: 2-chloranyl-6-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-6-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol CAS Name: 2-chloro-6-methoxy-4-[[4-(4,6,7-trimethyl-2-quinazolinyl)-1,4-diazepan-1-ium-1-yl]methyl]phenol IUPAC Name: 2-chloro-6-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-6-methoxy-4-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Formula: C24H30ClN4O2+ MolecularWeight: 441.9736

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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)Cl)O)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O2/c1-15-10-19-17(3)26-24(27-21(19)11-16(15)2)29-7-5-6-28(8-9-29)14-18-12-20(25)23(30)22(13-18)31-4/h10-13,30H,5-9,14H2,1-4H3/p+1