[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(4-isopropylphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [1-methyl-5-(4-propan-2-ylphenyl)-3-pyrazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: (1-methyl-5-p-cumenyl-pyrazol-3-yl)-piperazin-4-ium-1-yl-methanone Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/c1-13(2)14-4-6-15(7-5-14)17-12-16(20-21(17)3)18(23)22-10-8-19-9-11-22/h4-7,12-13,19H,8-11H2,1-3H3/p+1