[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O/c1-4-21-10-12-22(13-11-21)19(24)18-15(2)20-23(16(18)3)14-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3/p+1