methanesulfonate; 4-methylpentyl 4-azanyl-2-(diethylamino)benzoate

Systemtic Name: methanesulfonate; 4-methylpentyl 4-azanyl-2-(diethylamino)benzoate Openeye Name: isohexyl 4-amino-2-(diethylamino)benzoate; methanesulfonate CAS Name: 4-amino-2-(diethylamino)benzoic acid 4-methylpentyl ester; methanesulfonate IUPAC Name: methanesulfonate; 4-methylpentyl 4-amino-2-(diethylamino)benzoate Traditional Name: 4-amino-2-(diethylamino)benzoic acid isohexyl ester mesylate Formula: C18H31N2O5S- MolecularWeight: 387.51414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC(=C1)N)C(=O)OCCCC(C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=CC(=C1)N)C(=O)OCCCC(C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H28N2O2.CH4O3S/c1-5-19(6-2)16-12-14(18)9-10-15(16)17(20)21-11-7-8-13(3)4;1-5(2,3)4/h9-10,12-13H,5-8,11,18H2,1-4H3;1H3,(H,2,3,4)/p-1