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

Systemtic Name: [1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C26H33N6O+ MolecularWeight: 445.57982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O/c33-26(31-17-15-30(16-18-31)14-13-29-11-4-5-12-29)24-21-32(20-22-7-2-1-3-8-22)28-25(24)23-9-6-10-27-19-23/h1-3,6-10,19,21H,4-5,11-18,20H2/p+1