[(1R)-2-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1R)-2-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1R)-2-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1R)-2-[[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1R)-2-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1R)-2-[(4-carbethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@@H](CNC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C)C2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3/c1-6-25(7-2)18(17-12-10-9-11-13-17)14-23-21(26)20-15(4)19(16(5)24-20)22(27)28-8-3/h9-13,18,24H,6-8,14H2,1-5H3,(H,23,26)/p+1/t18-/m0/s1