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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-3-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]propan-1-one Formula: C22H36N3OS+ MolecularWeight: 390.60574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)SC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H35N3OS/c1-3-23-13-15-25(16-14-23)22(26)8-7-19-9-11-24(12-10-19)18-20-5-4-6-21(17-20)27-2/h4-6,17,19H,3,7-16,18H2,1-2H3/p+1