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

Systemtic Name: 2-methylpropanoyl 3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(methylamino)piperidin-1-ium-1-carboxylate Openeye Name: 2-methylpropanoyl 3-[(6-chloro-2-naphthyl)sulfonyl]-1-(methylamino)piperidin-1-ium-1-carboxylate CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-(methylamino)-1-piperidin-1-iumcarboxylic acid (2-methyl-1-oxopropyl) ester IUPAC Name: 2-methylpropanoyl 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(methylamino)piperidin-1-ium-1-carboxylate Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-(methylamino)piperidin-1-ium-1-carboxylic acid isobutyryl ester Formula: C21H26ClN2O5S+ MolecularWeight: 453.95954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(=O)[N+]1(CCCC(C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)NC

Isomeric SMILES

CC(C)C(=O)OC(=O)[N+]1(CCCC(C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)NC

InChI

InChI=1S/C21H26ClN2O5S/c1-14(2)20(25)29-21(26)24(23-3)10-4-5-19(13-24)30(27,28)18-9-7-15-11-17(22)8-6-16(15)12-18/h6-9,11-12,14,19,23H,4-5,10,13H2,1-3H3/q+1