methane; (2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-yl-propyl) phenyl carbonate; chloride

Systemtic Name: methane; (2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-yl-propyl) phenyl carbonate; chloride Openeye Name: methane; [2-methyl-3-piperidin-1-ium-1-yl-1-(2-thienyl)propyl] phenyl carbonate; chloride CAS Name: carbonic acid [2-methyl-3-(1-piperidin-1-iumyl)-1-thiophen-2-ylpropyl] phenyl ester; methane; chloride IUPAC Name: methane; (2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonate; chloride Traditional Name: carbonic acid [2-methyl-3-piperidin-1-ium-1-yl-1-(2-thienyl)propyl] phenyl ester; methane; chloride Formula: C21H30ClNO3S MolecularWeight: 411.9858

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C[NH+]1CCCCC1)C(C2=CC=CS2)OC(=O)OC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C.CC(C[NH+]1CCCCC1)C(C2=CC=CS2)OC(=O)OC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H25NO3S.CH4.ClH/c1-16(15-21-12-6-3-7-13-21)19(18-11-8-14-25-18)24-20(22)23-17-9-4-2-5-10-17;;/h2,4-5,8-11,14,16,19H,3,6-7,12-13,15H2,1H3;1H4;1H