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

Systemtic Name: 3-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-hexan-2-yl]-[(5-phenyl-1H-pyrrol-2-yl)carbonyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(1S)-1-(cyclohexylcarbamoyl)pentyl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-[oxo-(5-phenyl-1H-pyrrol-2-yl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]propyl-diethylazanium Traditional Name: 3-[[(1S)-1-(cyclohexylcarbamoyl)pentyl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]propyl-diethyl-ammonium Formula: C30H47N4O2+ MolecularWeight: 495.71978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)C2=CC=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H](C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)C2=CC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C30H46N4O2/c1-4-7-19-28(29(35)31-25-17-12-9-13-18-25)34(23-14-22-33(5-2)6-3)30(36)27-21-20-26(32-27)24-15-10-8-11-16-24/h8,10-11,15-16,20-21,25,28,32H,4-7,9,12-14,17-19,22-23H2,1-3H3,(H,31,35)/p+1/t28-/m0/s1