4-(6-chloranylnaphthalen-2-yl)sulfonylbutanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonylbutanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]butanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate CAS Name: 1-(methylamino)-1-piperidin-1-iumcarboxylic acid [4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxobutyl] ester IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonylbutanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate Traditional Name: 1-(methylamino)piperidin-1-ium-1-carboxylic acid 4-[(6-chloro-2-naphthyl)sulfonyl]butanoyl ester Formula: C21H26ClN2O5S+ MolecularWeight: 453.95954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN2O5S/c1-23-24(11-3-2-4-12-24)21(26)29-20(25)6-5-13-30(27,28)19-10-8-16-14-18(22)9-7-17(16)15-19/h7-10,14-15,23H,2-6,11-13H2,1H3/q+1