4-azanylbenzoic acid; N,N-diethyl-4-methyl-pentan-2-amine; methanesulfonate

Systemtic Name: 4-azanylbenzoic acid; N,N-diethyl-4-methyl-pentan-2-amine; methanesulfonate Openeye Name: 4-aminobenzoic acid; N,N-diethyl-4-methyl-pentan-2-amine; methanesulfonate CAS Name: 4-aminobenzoic acid; N,N-diethyl-4-methyl-2-pentanamine; methanesulfonate IUPAC Name: 4-aminobenzoic acid; N,N-diethyl-4-methylpentan-2-amine; methanesulfonate Traditional Name: 4-aminobenzoic acid; 1,3-dimethylbutyl(diethyl)amine; mesylate Formula: C18H33N2O5S- MolecularWeight: 389.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)CC(C)C.CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)O)N

Isomeric SMILES

CCN(CC)C(C)CC(C)C.CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)O)N

InChI

InChI=1S/C10H23N.C7H7NO2.CH4O3S/c1-6-11(7-2)10(5)8-9(3)4;8-6-3-1-5(2-4-6)7(9)10;1-5(2,3)4/h9-10H,6-8H2,1-5H3;1-4H,8H2,(H,9,10);1H3,(H,2,3,4)/p-1