2-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline

Systemtic Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Openeye Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline CAS Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline IUPAC Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline Traditional Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Formula: C24H29N6+ MolecularWeight: 401.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=NC5=CC=CC=C5N4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=NC5=CC=CC=C5N4)C)C

InChI

InChI=1S/C24H28N6/c1-16-13-19-18(3)25-24(28-22(19)14-17(16)2)30-10-6-9-29(11-12-30)15-23-26-20-7-4-5-8-21(20)27-23/h4-5,7-8,13-14H,6,9-12,15H2,1-3H3,(H,26,27)/p+1