1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-3-yl]propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-(4-methylsulfanylphenyl)acetyl]-3-piperidyl]propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3R)-1-[2-[4-(methylthio)phenyl]-1-oxoethyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-[4-(methylthio)phenyl]acetyl]-3-piperidyl]propan-1-one Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H33N3O2S/c1-23-12-14-24(15-13-23)21(26)10-7-19-4-3-11-25(17-19)22(27)16-18-5-8-20(28-2)9-6-18/h5-6,8-9,19H,3-4,7,10-17H2,1-2H3/p+1/t19-/m1/s1