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

Systemtic Name: 3-[[5-[[(2R)-2-chloranylpropanoyl]amino]-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-[[(2R)-2-chloropropanoyl]amino]-2-pyrrolidin-1-yl-benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-[[(2R)-2-chloro-1-oxopropyl]amino]-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-[[(2R)-2-chloropropanoyl]amino]-2-pyrrolidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-[[(2R)-2-chloropropanoyl]amino]-2-pyrrolidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C19H30ClN4O2+ MolecularWeight: 381.9201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C)Cl

InChI

InChI=1S/C19H29ClN4O2/c1-14(20)18(25)22-15-7-8-17(24-11-4-5-12-24)16(13-15)19(26)21-9-6-10-23(2)3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,21,26)(H,22,25)/p+1/t14-/m1/s1