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

Systemtic Name: 3-[[5-[[(2R)-2-chloranylpropanoyl]amino]-2-piperidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-[[(2R)-2-chloropropanoyl]amino]-2-(1-piperidyl)benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-[[(2R)-2-chloro-1-oxopropyl]amino]-2-(1-piperidinyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-[[(2R)-2-chloropropanoyl]amino]-2-piperidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-[[(2R)-2-chloropropanoyl]amino]-2-piperidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C20H32ClN4O2+ MolecularWeight: 395.94668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClN4O2/c1-15(21)19(26)23-16-8-9-18(25-12-5-4-6-13-25)17(14-16)20(27)22-10-7-11-24(2)3/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,22,27)(H,23,26)/p+1/t15-/m1/s1