(1-methylpyrazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-methylpyrazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: (1-methyl-4-pyrazolyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-methylpyrazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)C

InChI

InChI=1S/C19H26N4O/c1-15(2)17-6-4-16(5-7-17)13-22-8-10-23(11-9-22)19(24)18-12-20-21(3)14-18/h4-7,12,14-15H,8-11,13H2,1-3H3/p+1