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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H33N5O2/c1-4-28-21(16-18(2)24-28)23(29)27-11-7-8-19(17-27)25-12-14-26(15-13-25)20-9-5-6-10-22(20)30-3/h5-6,9-10,16,19H,4,7-8,11-15,17H2,1-3H3/p+1/t19-/m0/s1