(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone

Systemtic Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone CAS Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-methyl-1-benzimidazolyl)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC(=NN3)C(=O)N4CCC[NH+](CC4)C5CCCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC(=NN3)C(=O)N4CCC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C23H30N6O/c1-17-24-20-9-4-5-10-22(20)29(17)16-18-15-21(26-25-18)23(30)28-12-6-11-27(13-14-28)19-7-2-3-8-19/h4-5,9-10,15,19H,2-3,6-8,11-14,16H2,1H3,(H,25,26)/p+1