[(4S)-4-[[1-(3-chlorophenyl)-3-cyano-pyrrol-2-yl]carbonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[1-(3-chlorophenyl)-3-cyano-pyrrol-2-yl]carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[1-(3-chlorophenyl)-3-cyano-pyrrole-2-carbonyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[[1-(3-chlorophenyl)-3-cyano-2-pyrrolyl]-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[1-(3-chlorophenyl)-3-cyanopyrrole-2-carbonyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[1-(3-chlorophenyl)-3-cyano-pyrrole-2-carbonyl]amino]pentyl]-diethyl-ammonium Formula: C21H28ClN4O+ MolecularWeight: 387.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C1=C(C=CN1C2=CC(=CC=C2)Cl)C#N

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=C(C=CN1C2=CC(=CC=C2)Cl)C#N

InChI

InChI=1S/C21H27ClN4O/c1-4-25(5-2)12-7-8-16(3)24-21(27)20-17(15-23)11-13-26(20)19-10-6-9-18(22)14-19/h6,9-11,13-14,16H,4-5,7-8,12H2,1-3H3,(H,24,27)/p+1/t16-/m0/s1