[2-(diethylamino)-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: [2-(diethylamino)-2-oxo-ethyl]-methyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-(diethylamino)-2-keto-ethyl]-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+](C)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCN(CC)C(=O)C[NH+](C)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H32N4O4S/c1-4-23(5-2)20(26)16-22(3)15-19(25)21-17-10-9-11-18(14-17)29(27,28)24-12-7-6-8-13-24/h9-11,14H,4-8,12-13,15-16H2,1-3H3,(H,21,25)/p+1