3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-methyl-[3-[(1-pivaloylisonipecotoyl)amino]propyl]ammonium Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NCCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NCCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C22H35N3O2/c1-22(2,3)21(27)25-15-11-19(12-16-25)20(26)23-13-8-14-24(4)17-18-9-6-5-7-10-18/h5-7,9-10,19H,8,11-17H2,1-4H3,(H,23,26)/p+1