1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-(5-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(5-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-(5-methylpyrazol-1-yl)propan-1-one Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=NN1CCC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H33N5O2/c1-19-9-11-24-28(19)13-10-23(29)27-12-5-6-20(18-27)25-14-16-26(17-15-25)21-7-3-4-8-22(21)30-2/h3-4,7-9,11,20H,5-6,10,12-18H2,1-2H3/p+1/t20-/m0/s1