2-acetamidoethyl-[(1S)-1-(3-nitrophenyl)ethyl]azanium

Systemtic Name: 2-acetamidoethyl-[(1S)-1-(3-nitrophenyl)ethyl]azanium Openeye Name: 2-acetamidoethyl-[(1S)-1-(3-nitrophenyl)ethyl]ammonium CAS Name: 2-acetamidoethyl-[(1S)-1-(3-nitrophenyl)ethyl]ammonium IUPAC Name: 2-acetamidoethyl-[(1S)-1-(3-nitrophenyl)ethyl]azanium Traditional Name: 2-acetamidoethyl-[(1S)-1-(3-nitrophenyl)ethyl]ammonium Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CCNC(=O)C

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CCNC(=O)C

InChI

InChI=1S/C12H17N3O3/c1-9(13-6-7-14-10(2)16)11-4-3-5-12(8-11)15(17)18/h3-5,8-9,13H,6-7H2,1-2H3,(H,14,16)/p+1/t9-/m0/s1