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

Systemtic Name: (4-cyclopentyl-1,4-diazepan-1-yl)-[5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: (4-cyclopentyl-1,4-diazepan-1-yl)-[5-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]methanone CAS Name: (4-cyclopentyl-1,4-diazepan-1-yl)-[5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: (4-cyclopentyl-1,4-diazepan-1-yl)-[5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: (4-cyclopentyl-1,4-diazepan-1-yl)-[5-[(2-isopropyl-1H-imidazol-3-ium-3-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=[N+](C=CN1)CC2=CC(=NN2)C(=O)N3CCCN(CC3)C4CCCC4

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CC2=CC(=NN2)C(=O)N3CCCN(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,23,24,28)/p+1