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

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-(3-methylpyrazol-1-yl)ethanone CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(3-methyl-1-pyrazolyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-(3-methylpyrazol-1-yl)ethanone Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NN(C=C1)CC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H31N5O2/c1-18-9-11-27(23-18)17-22(28)26-10-5-6-19(16-26)24-12-14-25(15-13-24)20-7-3-4-8-21(20)29-2/h3-4,7-9,11,19H,5-6,10,12-17H2,1-2H3/p+1/t19-/m0/s1