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

Systemtic Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[5,6-dimethyl-1-(4-nitrobenzyl)benzimidazol-2-yl]ethyl]ammonium Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C(C)[NH3+])CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)[C@H](C)[NH3+])CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2/c1-11-8-16-17(9-12(11)2)21(18(20-16)13(3)19)10-14-4-6-15(7-5-14)22(23)24/h4-9,13H,10,19H2,1-3H3/p+1/t13-/m0/s1