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

Systemtic Name: [3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C27H34N5O+ MolecularWeight: 444.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O/c33-27(31-19-17-30(18-20-31)16-15-29-13-7-8-14-29)25-22-32(21-23-9-3-1-4-10-23)28-26(25)24-11-5-2-6-12-24/h1-6,9-12,22H,7-8,13-21H2/p+1