1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(4-methylsulfanylphenyl)carbonylpiperidin-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(4-methylsulfanylphenyl)carbonylpiperidin-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(4-methylsulfanylbenzoyl)-4-piperidyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[1-[[4-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[4-(methylthio)benzoyl]-4-piperidyl]propan-1-one Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

InChI

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