ethyl 1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carbonyl]isonipecotic acid ethyl ester Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CS3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CS3)C

InChI

InChI=1S/C20H30N2O3S/c1-3-25-20(24)17-6-11-22(12-7-17)19(23)16-4-9-21(10-5-16)14-18-15(2)8-13-26-18/h8,13,16-17H,3-7,9-12,14H2,1-2H3/p+1