methanesulfonate; (1-methylpiperidin-4-yl) 4-(butylamino)-2-chloranyl-benzoate

Systemtic Name: methanesulfonate; (1-methylpiperidin-4-yl) 4-(butylamino)-2-chloranyl-benzoate Openeye Name: methanesulfonate; (1-methyl-4-piperidyl) 4-(butylamino)-2-chloro-benzoate CAS Name: 4-(butylamino)-2-chlorobenzoic acid (1-methyl-4-piperidinyl) ester; methanesulfonate IUPAC Name: methanesulfonate; (1-methylpiperidin-4-yl) 4-(butylamino)-2-chlorobenzoate Traditional Name: 4-(butylamino)-2-chloro-benzoic acid (1-methyl-4-piperidyl) ester mesylate Formula: C18H28ClN2O5S- MolecularWeight: 419.94332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)C)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCNC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)C)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H25ClN2O2.CH4O3S/c1-3-4-9-19-13-5-6-15(16(18)12-13)17(21)22-14-7-10-20(2)11-8-14;1-5(2,3)4/h5-6,12,14,19H,3-4,7-11H2,1-2H3;1H3,(H,2,3,4)/p-1