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

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-18-7-8-20(19(2)15-18)16-25(3)17-23(27)24-21-9-11-22(12-10-21)30(28,29)26-13-5-4-6-14-26/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,24,27)/p+1