1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 3-(3-methylpyrazol-1-yl)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]propan-1-one CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 3-(3-methylpyrazol-1-yl)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]propan-1-one Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C23H33N5O/c1-19-6-3-4-8-22(19)26-16-14-25(15-17-26)21-7-5-11-27(18-21)23(29)10-13-28-12-9-20(2)24-28/h3-4,6,8-9,12,21H,5,7,10-11,13-18H2,1-2H3/p+1/t21-/m0/s1