3-[[4-(2-ethylbutanoyl)-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(2-ethylbutanoyl)-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2-ethylbutanoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(2-ethyl-1-oxobutyl)-1H-pyrrol-2-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2-ethylbutanoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2-ethylbutanoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium Formula: C16H28N3O2+ MolecularWeight: 294.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C16H27N3O2/c1-5-12(6-2)15(20)13-10-14(18-11-13)16(21)17-8-7-9-19(3)4/h10-12,18H,5-9H2,1-4H3,(H,17,21)/p+1