[3-(1-ethylsulfonylpiperidin-4-yl)oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [3-(1-ethylsulfonylpiperidin-4-yl)oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-[(1-ethylsulfonyl-4-piperidyl)oxy]phenyl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-[(1-ethylsulfonyl-4-piperidinyl)oxy]phenyl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-(1-ethylsulfonylpiperidin-4-yl)oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-[(1-esyl-4-piperidyl)oxy]benzyl]-methyl-(3-thenyl)ammonium Formula: C20H29N2O3S2+ MolecularWeight: 409.58586

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=CSC=C3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C20H28N2O3S2/c1-3-27(23,24)22-10-7-19(8-11-22)25-20-6-4-5-17(13-20)14-21(2)15-18-9-12-26-16-18/h4-6,9,12-13,16,19H,3,7-8,10-11,14-15H2,1-2H3/p+1