(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C23H33N5O+2 MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H31N5O/c29-23(27-16-14-26(15-17-27)13-12-25-10-4-5-11-25)22-18-21(19-8-9-19)24-28(22)20-6-2-1-3-7-20/h1-3,6-7,18-19H,4-5,8-17H2/p+2