ethyl 4-[(3R)-3-[(thiophen-2-ylcarbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-3-[(thiophen-2-ylcarbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R)-3-[(thiophene-2-carbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R)-3-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-[(thiophene-2-carbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R)-3-[(2-thenoylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-2-25-19(24)21-10-7-16(8-11-21)22-9-3-5-15(14-22)13-20-18(23)17-6-4-12-26-17/h4,6,12,15-16H,2-3,5,7-11,13-14H2,1H3,(H,20,23)/p+1/t15-/m1/s1