[5-(4-ethylphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-(4-ethylphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(4-ethylphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(4-ethylphenyl)-1-methyl-3-pyrazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-ethylphenyl)-1-methylpyrazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(4-ethylphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H22N4O/c1-3-13-4-6-14(7-5-13)16-12-15(19-20(16)2)17(22)21-10-8-18-9-11-21/h4-7,12,18H,3,8-11H2,1-2H3/p+1