[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-4-27-12-14-28(15-13-27)25(30)23-18-29(17-21-8-6-5-7-9-21)26-24(23)22-11-10-19(2)20(3)16-22/h5-11,16,18H,4,12-15,17H2,1-3H3/p+1