2-[[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C18H32N4O4S+2 MolecularWeight: 400.53608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2

Isomeric SMILES

C[NH+](C)CC[NH2+]CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H30N4O4S/c1-21(2)12-9-19-14-18(23)20-15-7-8-16(26-3)17(13-15)27(24,25)22-10-5-4-6-11-22/h7-8,13,19H,4-6,9-12,14H2,1-3H3,(H,20,23)/p+2