N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-2-(cyclohexylamino)-1-(5-methyl-2-furyl)-2-oxo-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide CAS Name: N-[(1S)-2-(cyclohexylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-2-(cyclohexylamino)-2-keto-1-(5-methyl-2-furyl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide Formula: C31H41N4O4+ MolecularWeight: 533.68164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C(=O)NC2CCCCC2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)[C@@H](C(=O)NC2CCCCC2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C31H40N4O4/c1-23-13-16-28(39-23)29(30(36)32-25-11-6-3-7-12-25)35(18-8-17-34-19-21-38-22-20-34)31(37)27-15-14-26(33-27)24-9-4-2-5-10-24/h2,4-5,9-10,13-16,25,29,33H,3,6-8,11-12,17-22H2,1H3,(H,32,36)/p+1/t29-/m0/s1