3-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]propyl-benzyl-methyl-ammonium CAS Name: 3-[[[1-(4-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]propyl-benzyl-methylazanium Traditional Name: 3-[[1-(4-acetylphenyl)sulfonylisonipecotoyl]amino]propyl-benzyl-methyl-ammonium Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-20(29)22-9-11-24(12-10-22)33(31,32)28-17-13-23(14-18-28)25(30)26-15-6-16-27(2)19-21-7-4-3-5-8-21/h3-5,7-12,23H,6,13-19H2,1-2H3,(H,26,30)/p+1