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

Systemtic Name: [3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-2-13-26-14-16-27(17-15-26)24(29)22-19-28(18-20-9-5-3-6-10-20)25-23(22)21-11-7-4-8-12-21/h3-12,19H,2,13-18H2,1H3/p+1