ethyl 4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H32N3O2S2+ MolecularWeight: 374.58488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C17H31N3O2S2/c1-2-22-17(21)19-8-6-18(7-9-19)15-4-3-5-20(12-15)16-13-23-10-11-24-14-16/h15-16H,2-14H2,1H3/p+1/t15-/m0/s1