ethyl 4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H26N4O4S/c1-2-25-17(22)20-12-10-19(11-13-20)16-7-6-15(14-18-16)26(23,24)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3/p+1