methyl-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: methyl-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-11-12-20(15-21(18)29(27,28)25-13-7-4-8-14-25)23-22(26)17-24(2)16-19-9-5-3-6-10-19/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,23,26)/p+1