3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol CAS Name: 3-[[4-(6-ethoxy-4-methyl-2-quinazolinyl)-1,4-diazepan-1-ium-1-yl]methyl]phenol IUPAC Name: 3-[[4-(6-ethoxy-4-methylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]phenol Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=CC(=CC=C4)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C23H28N4O2/c1-3-29-20-8-9-22-21(15-20)17(2)24-23(25-22)27-11-5-10-26(12-13-27)16-18-6-4-7-19(28)14-18/h4,6-9,14-15,28H,3,5,10-13,16H2,1-2H3/p+1