dimethyl-[3-[[5-(3-methylbutanoylamino)-2-piperidin-1-yl-phenyl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[5-(3-methylbutanoylamino)-2-piperidin-1-yl-phenyl]carbonylamino]propyl]azanium Openeye Name: dimethyl-[3-[[5-(3-methylbutanoylamino)-2-(1-piperidyl)benzoyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[5-[(3-methyl-1-oxobutyl)amino]-2-(1-piperidinyl)phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]propyl]azanium Traditional Name: 3-[[5-(isovalerylamino)-2-piperidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C22H37N4O2+ MolecularWeight: 389.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C22H36N4O2/c1-17(2)15-21(27)24-18-9-10-20(26-13-6-5-7-14-26)19(16-18)22(28)23-11-8-12-25(3)4/h9-10,16-17H,5-8,11-15H2,1-4H3,(H,23,28)(H,24,27)/p+1