4,6,7-trimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline

Systemtic Name: 4,6,7-trimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 4,6,7-trimethyl-2-[4-[(1-methyl-2-benzimidazolyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C25H31N6+ MolecularWeight: 415.55384

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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=C5N4C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=NC5=CC=CC=C5N4C)C)C

InChI

InChI=1S/C25H30N6/c1-17-14-20-19(3)26-25(28-22(20)15-18(17)2)31-11-7-10-30(12-13-31)16-24-27-21-8-5-6-9-23(21)29(24)4/h5-6,8-9,14-15H,7,10-13,16H2,1-4H3/p+1