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

Systemtic Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone CAS Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-propan-2-yl-1-imidazolyl)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CC2=CC(=NN2)C(=O)N3CCC[NH+](CC3)C4CCCC4

Isomeric SMILES

CC(C)C1=NC=CN1CC2=CC(=NN2)C(=O)N3CCC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C21H32N6O/c1-16(2)20-22-8-11-27(20)15-17-14-19(24-23-17)21(28)26-10-5-9-25(12-13-26)18-6-3-4-7-18/h8,11,14,16,18H,3-7,9-10,12-13,15H2,1-2H3,(H,23,24)/p+1