ethyl 4-[(3S)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CSC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CSC(=C3)C(=O)C

InChI

InChI=1S/C19H29N3O3S/c1-3-25-19(24)22-9-7-21(8-10-22)17-5-4-6-20(13-17)12-16-11-18(15(2)23)26-14-16/h11,14,17H,3-10,12-13H2,1-2H3/p+1/t17-/m0/s1