[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C26H36N3O2S+ MolecularWeight: 454.64794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H35N3O2S/c1-3-31-25-7-5-4-6-24(25)28-16-18-29(19-17-28)26(30)22-12-14-27(15-13-22)20-21-8-10-23(32-2)11-9-21/h4-11,22H,3,12-20H2,1-2H3/p+1