3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: 3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate Openeye Name: 3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate CAS Name: 1-(methylamino)-1-piperidin-1-iumcarboxylic acid [3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl] ester IUPAC Name: 3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate Traditional Name: 1-(methylamino)piperidin-1-ium-1-carboxylic acid 3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl ester Formula: C20H24ClN2O5S+ MolecularWeight: 439.93296

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(CCCCC1)C(=O)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CN[N+]1(CCCCC1)C(=O)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN2O5S/c1-22-23(10-3-2-4-11-23)20(25)28-19(24)9-12-29(26,27)18-8-6-15-13-17(21)7-5-16(15)14-18/h5-8,13-14,22H,2-4,9-12H2,1H3/q+1