4-[[4-[(6-chloranyl-1,3-dimethyl-benzimidazol-3-ium-4-yl)diazenyl]phenyl]-ethyl-amino]butane-1,2-diol

Systemtic Name: 4-[[4-[(6-chloranyl-1,3-dimethyl-benzimidazol-3-ium-4-yl)diazenyl]phenyl]-ethyl-amino]butane-1,2-diol Openeye Name: 4-[4-(6-chloro-1,3-dimethyl-benzimidazol-3-ium-4-yl)azo-N-ethyl-anilino]butane-1,2-diol CAS Name: 4-[4-[(6-chloro-1,3-dimethyl-4-benzimidazol-3-iumyl)azo]-N-ethylanilino]butane-1,2-diol IUPAC Name: 4-[4-[(6-chloro-1,3-dimethylbenzimidazol-3-ium-4-yl)diazenyl]-N-ethylanilino]butane-1,2-diol Traditional Name: 4-[4-(6-chloro-1,3-dimethyl-benzimidazol-3-ium-4-yl)azo-N-ethyl-anilino]butane-1,2-diol Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(CO)O)C1=CC=C(C=C1)N=NC2=CC(=CC3=C2[N+](=CN3C)C)Cl

Isomeric SMILES

CCN(CCC(CO)O)C1=CC=C(C=C1)N=NC2=CC(=CC3=C2[N+](=CN3C)C)Cl

InChI

InChI=1S/C21H27ClN5O2/c1-4-27(10-9-18(29)13-28)17-7-5-16(6-8-17)23-24-19-11-15(22)12-20-21(19)26(3)14-25(20)2/h5-8,11-12,14,18,28-29H,4,9-10,13H2,1-3H3/q+1