3-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-[(5-phenyl-1H-pyrrol-2-yl)carbonyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-[(5-phenyl-1H-pyrrol-2-yl)carbonyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(1S)-2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[oxo-(5-phenyl-1H-pyrrol-2-yl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]propyl-diethylazanium Traditional Name: 3-[[(1S)-2-(cyclohexylamino)-2-keto-1-(2-thienyl)ethyl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]propyl-diethyl-ammonium Formula: C30H41N4O2S+ MolecularWeight: 521.73714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(C(C1=CC=CS1)C(=O)NC2CCCCC2)C(=O)C3=CC=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCCN([C@H](C1=CC=CS1)C(=O)NC2CCCCC2)C(=O)C3=CC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C30H40N4O2S/c1-3-33(4-2)20-12-21-34(30(36)26-19-18-25(32-26)23-13-7-5-8-14-23)28(27-17-11-22-37-27)29(35)31-24-15-9-6-10-16-24/h5,7-8,11,13-14,17-19,22,24,28,32H,3-4,6,9-10,12,15-16,20-21H2,1-2H3,(H,31,35)/p+1/t28-/m1/s1