3-[(3R)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]propan-1-one Formula: C26H38N5O2+ MolecularWeight: 452.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H37N5O2/c1-3-31-24(18-21(2)27-31)26(33)30-13-7-10-23(20-30)11-12-25(32)29-16-14-28(15-17-29)19-22-8-5-4-6-9-22/h4-6,8-9,18,23H,3,7,10-17,19-20H2,1-2H3/p+1/t23-/m1/s1