(3-piperidin-1-ium-1-ylpropylcarbamoylamino) 4-methoxybenzenesulfinate

Systemtic Name: (3-piperidin-1-ium-1-ylpropylcarbamoylamino) 4-methoxybenzenesulfinate Openeye Name: (3-piperidin-1-ium-1-ylpropylcarbamoylamino) 4-methoxybenzenesulfinate CAS Name: 4-methoxybenzenesulfinic acid [[oxo-[3-(1-piperidin-1-iumyl)propylamino]methyl]amino] ester IUPAC Name: (3-piperidin-1-ium-1-ylpropylcarbamoylamino) 4-methoxybenzenesulfinate Traditional Name: 4-methoxybenzenesulfinic acid (3-piperidin-1-ium-1-ylpropylcarbamoylamino) ester Formula: C16H26N3O4S+ MolecularWeight: 356.46034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)ONC(=O)NCCC[NH+]2CCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)[S@](=O)ONC(=O)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25N3O4S/c1-22-14-6-8-15(9-7-14)24(21)23-18-16(20)17-10-5-13-19-11-3-2-4-12-19/h6-9H,2-5,10-13H2,1H3,(H2,17,18,20)/p+1/t24-/m1/s1