2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline

Systemtic Name: 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Openeye Name: 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline CAS Name: 2-[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline IUPAC Name: 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline Traditional Name: 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Formula: C22H31N6+ MolecularWeight: 379.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=C(N(N=C4)C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=C(N(N=C4)C)C)C)C

InChI

InChI=1S/C22H30N6/c1-15-11-20-17(3)24-22(25-21(20)12-16(15)2)28-8-6-7-27(9-10-28)14-19-13-23-26(5)18(19)4/h11-13H,6-10,14H2,1-5H3/p+1