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

Systemtic Name: (2-ethyl-5-methyl-pyrazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: (2-ethyl-5-methyl-pyrazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: (2-ethyl-5-methyl-3-pyrazolyl)-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (2-ethyl-5-methyl-pyrazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O/c1-3-27-21(16-18(2)23-27)22(28)26-11-7-10-20(17-26)25-14-12-24(13-15-25)19-8-5-4-6-9-19/h4-6,8-9,16,20H,3,7,10-15,17H2,1-2H3/p+1/t20-/m0/s1