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

Systemtic Name: 3-[[5-(hexanoylamino)-2-piperidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(hexanoylamino)-2-(1-piperidyl)benzoyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[oxo-[5-(1-oxohexylamino)-2-(1-piperidinyl)phenyl]methyl]amino]propyl]ammonium IUPAC Name: 3-[[5-(hexanoylamino)-2-piperidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-(caproylamino)-2-piperidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C23H39N4O2+ MolecularWeight: 403.58136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N4O2/c1-4-5-7-11-22(28)25-19-12-13-21(27-16-8-6-9-17-27)20(18-19)23(29)24-14-10-15-26(2)3/h12-13,18H,4-11,14-17H2,1-3H3,(H,24,29)(H,25,28)/p+1