diethyl-[(2S)-1-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(methylamino)-3-nitro-benzoyl]amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[[4-(methylamino)-3-nitrobenzoyl]amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[4-(methylamino)-3-nitro-benzoyl]amino]ethyl]-diethyl-ammonium Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O3/c1-4-24(5-2)18(13-16-9-7-6-8-10-16)15-23-21(26)17-11-12-19(22-3)20(14-17)25(27)28/h6-12,14,18,22H,4-5,13,15H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1