2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-azanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-azanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-amino-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-amino-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-amino-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-amino-2-(mesitylsulfonylamino)propionic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C20H34N3O4S+ MolecularWeight: 412.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CN)C(=O)OCC[N+]2(CCCCC2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CN)C(=O)OCC[N+]2(CCCCC2)C)C

InChI

InChI=1S/C20H34N3O4S/c1-15-12-16(2)19(17(3)13-15)28(25,26)22-18(14-21)20(24)27-11-10-23(4)8-6-5-7-9-23/h12-13,18,22H,5-11,14,21H2,1-4H3/q+1