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

Systemtic Name: (4-ethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (4-ethylbenzyl)-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

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