methanesulfonate; (1-methylpiperidin-1-ium-4-yl) 4-(butylamino)benzoate

Systemtic Name: methanesulfonate; (1-methylpiperidin-1-ium-4-yl) 4-(butylamino)benzoate Openeye Name: methanesulfonate; (1-methylpiperidin-1-ium-4-yl) 4-(butylamino)benzoate CAS Name: 4-(butylamino)benzoic acid (1-methyl-4-piperidin-1-iumyl) ester; methanesulfonate IUPAC Name: methanesulfonate; (1-methylpiperidin-1-ium-4-yl) 4-(butylamino)benzoate Traditional Name: 4-(butylamino)benzoic acid (1-methylpiperidin-1-ium-4-yl) ester mesylate Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OC2CC[NH+](CC2)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OC2CC[NH+](CC2)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H26N2O2.CH4O3S/c1-3-4-11-18-15-7-5-14(6-8-15)17(20)21-16-9-12-19(2)13-10-16;1-5(2,3)4/h5-8,16,18H,3-4,9-13H2,1-2H3;1H3,(H,2,3,4)