2-[[[2-methyl-1-(phenylmethyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]-4-nitro-phenol

Systemtic Name: 2-[[[2-methyl-1-(phenylmethyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]-4-nitro-phenol Openeye Name: 2-[[(1-benzyl-2-methyl-3H-benzimidazol-1-ium-5-yl)amino]methyl]-4-nitro-phenol CAS Name: 2-[[[2-methyl-1-(phenylmethyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]-4-nitrophenol IUPAC Name: 2-[[(1-benzyl-2-methyl-3H-benzimidazol-1-ium-5-yl)amino]methyl]-4-nitrophenol Traditional Name: 2-[[(1-benzyl-2-methyl-3H-benzimidazol-1-ium-5-yl)amino]methyl]-4-nitro-phenol Formula: C22H21N4O3+ MolecularWeight: 389.42714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1)C=C(C=C2)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C2=C(N1)C=C(C=C2)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-15-24-20-12-18(23-13-17-11-19(26(28)29)8-10-22(17)27)7-9-21(20)25(15)14-16-5-3-2-4-6-16/h2-12,23,27H,13-14H2,1H3/p+1