(4-aminocarbonyl-2-nitro-phenyl)methyl-[(1S)-1-(2-methoxyphenyl)ethyl]-methyl-azanium

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl-[(1S)-1-(2-methoxyphenyl)ethyl]-methyl-azanium Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl-[(1S)-1-(2-methoxyphenyl)ethyl]-methyl-ammonium CAS Name: (4-carbamoyl-2-nitrophenyl)methyl-[(1S)-1-(2-methoxyphenyl)ethyl]-methylammonium IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl-[(1S)-1-(2-methoxyphenyl)ethyl]-methylazanium Traditional Name: (4-carbamoyl-2-nitro-benzyl)-[(1S)-1-(2-methoxyphenyl)ethyl]-methyl-ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)[NH+](C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)[NH+](C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-12(15-6-4-5-7-17(15)25-3)20(2)11-14-9-8-13(18(19)22)10-16(14)21(23)24/h4-10,12H,11H2,1-3H3,(H2,19,22)/p+1/t12-/m0/s1