methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: benzyl-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-23(16-18-8-4-2-5-9-18)17-21(25)22-19-10-12-20(13-11-19)28(26,27)24-14-6-3-7-15-24/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,22,25)/p+1