methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(3-mesylanilino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-24(16-18-9-4-5-12-21(18)25-13-6-3-7-14-25)17-22(26)23-19-10-8-11-20(15-19)29(2,27)28/h4-5,8-12,15H,3,6-7,13-14,16-17H2,1-2H3,(H,23,26)/p+1