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(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name:(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium
Openeye Name:(2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium
CAS Name:(2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]ammonium
IUPAC Name:(2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]azanium
Traditional Name:(2,4-dimethylbenzyl)-[2-keto-2-(3-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(=CC=C2)S(=O)(=O)N3CCCCC3)C


Isomeric SMILES

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


InChI

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


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