[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-3-13-27-14-16-28(17-15-27)25(30)22-19-29(18-20-9-5-4-6-10-20)26-24(22)21-11-7-8-12-23(21)31-2/h4-12,19H,3,13-18H2,1-2H3/p+1