ethyl 4-[(3S)-3-(3-methylthiophen-2-yl)carbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(3-methylthiophen-2-yl)carbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C19H28N2O3S/c1-3-24-19(23)20-10-6-16(7-11-20)21-9-4-5-15(13-21)17(22)18-14(2)8-12-25-18/h8,12,15-16H,3-7,9-11,13H2,1-2H3/p+1/t15-/m0/s1