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

Systemtic Name: 2-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-(4,6,7-trimethyl-2-quinazolinyl)-1,4-diazepan-1-ium-1-yl]methyl]phenol IUPAC Name: 2-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC=CC=C4O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC=CC=C4O)C)C

InChI

InChI=1S/C23H28N4O/c1-16-13-20-18(3)24-23(25-21(20)14-17(16)2)27-10-6-9-26(11-12-27)15-19-7-4-5-8-22(19)28/h4-5,7-8,13-14,28H,6,9-12,15H2,1-3H3/p+1