N-[(S)-benzimidazol-1-yl-(3-nitrophenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-benzimidazol-1-yl-(3-nitrophenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(S)-benzimidazol-1-yl-(3-nitrophenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(S)-1-benzimidazolyl-(3-nitrophenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(S)-benzimidazol-1-yl-(3-nitrophenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [(S)-benzimidazol-1-yl-(3-nitrophenyl)methyl]-pyridin-1-ium-2-yl-amine Formula: C19H16N5O2+ MolecularWeight: 346.36264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C(C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2[C@@H](C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=[NH+]4

InChI

InChI=1S/C19H15N5O2/c25-24(26)15-7-5-6-14(12-15)19(22-18-10-3-4-11-20-18)23-13-21-16-8-1-2-9-17(16)23/h1-13,19H,(H,20,22)/p+1/t19-/m0/s1