(1,3-diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: (1,3-diphenyl-4-pyrazolyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O/c32-26(30-19-17-29(18-20-30)16-15-28-13-7-8-14-28)24-21-31(23-11-5-2-6-12-23)27-25(24)22-9-3-1-4-10-22/h1-6,9-12,21H,7-8,13-20H2/p+1