diethyl-[(2S)-1-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(4-carbomethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]ethyl]-diethyl-ammonium Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C22H31N3O3/c1-6-25(7-2)18(13-17-11-9-8-10-12-17)14-23-21(26)20-15(3)19(16(4)24-20)22(27)28-5/h8-12,18,24H,6-7,13-14H2,1-5H3,(H,23,26)/p+1/t18-/m0/s1