2-acetamidoethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: 2-acetamidoethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: 2-acetamidoethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: 2-acetamidoethyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: 2-acetamidoethyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: 2-acetamidoethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CCNC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CCNC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-9-4-5-12(8-13(9)16(18)19)10(2)14-6-7-15-11(3)17/h4-5,8,10,14H,6-7H2,1-3H3,(H,15,17)/p+1/t10-/m0/s1