(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4C)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4C)C

InChI

InChI=1S/C23H33N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,19H,4,7,9,11-16H2,1-3H3,(H,24,25)/p+1/t19-/m0/s1