(4-ethylpiperazin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-ethylpiperazin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-ethyl-1-piperazinyl)-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-ethylpiperazino)-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]methanone Formula: C20H32N3OS+ MolecularWeight: 362.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H31N3OS/c1-3-21-12-14-23(15-13-21)20(24)18-8-10-22(11-9-18)16-17-4-6-19(25-2)7-5-17/h4-7,18H,3,8-16H2,1-2H3/p+1