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

Systemtic Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-1-[5,6-dimethyl-1-(4-nitrobenzyl)benzimidazol-2-yl]propyl]ammonium Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C=C(C(=C2)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C=C(C(=C2)C)C)[NH3+]

InChI

InChI=1S/C19H22N4O2/c1-4-16(20)19-21-17-9-12(2)13(3)10-18(17)22(19)11-14-5-7-15(8-6-14)23(24)25/h5-10,16H,4,11,20H2,1-3H3/p+1/t16-/m0/s1