[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-2-11-26-12-14-27(15-13-26)23(29)21-18-28(17-19-7-4-3-5-8-19)25-22(21)20-9-6-10-24-16-20/h3-10,16,18H,2,11-15,17H2,1H3/p+1