[(1S)-1-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[5,6-dimethoxy-1-(4-nitrobenzyl)benzimidazol-2-yl]ethyl]ammonium Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC(=C(C=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])OC)OC)[NH3+]

Isomeric SMILES

C[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])OC)OC)[NH3+]

InChI

InChI=1S/C18H20N4O4/c1-11(19)18-20-14-8-16(25-2)17(26-3)9-15(14)21(18)10-12-4-6-13(7-5-12)22(23)24/h4-9,11H,10,19H2,1-3H3/p+1/t11-/m0/s1