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

Systemtic Name: 2-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(6-ethoxy-4-methyl-2-quinazolinyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(6-ethoxy-4-methylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C24H28N5OS+ MolecularWeight: 434.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N5OS/c1-3-30-18-9-10-20-19(15-18)17(2)25-24(27-20)29-12-6-11-28(13-14-29)16-23-26-21-7-4-5-8-22(21)31-23/h4-5,7-10,15H,3,6,11-14,16H2,1-2H3/p+1