(1,1-dimethylpiperidin-1-ium-4-yl) 2-piperidin-1-yl-2-thiophen-2-yl-propanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-piperidin-1-yl-2-thiophen-2-yl-propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(1-piperidyl)-2-(2-thienyl)propanoate CAS Name: 2-(1-piperidinyl)-2-thiophen-2-ylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-piperidin-1-yl-2-thiophen-2-ylpropanoate Traditional Name: 2-piperidino-2-(2-thienyl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C19H31N2O2S+ MolecularWeight: 351.52664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCC3

Isomeric SMILES

CC(C1=CC=CS1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCC3

InChI

InChI=1S/C19H31N2O2S/c1-19(17-8-7-15-24-17,20-11-5-4-6-12-20)18(22)23-16-9-13-21(2,3)14-10-16/h7-8,15-16H,4-6,9-14H2,1-3H3/q+1