4-(3-ethyl-7-isocyano-2,5-dimethyl-pyrrolo[2,3-f]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid

Systemtic Name: 4-(3-ethyl-7-isocyano-2,5-dimethyl-pyrrolo[2,3-f]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid Openeye Name: 4-(3-ethyl-7-isocyano-2,5-dimethyl-pyrrolo[2,3-f]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid CAS Name: 4-(3-ethyl-7-isocyano-2,5-dimethyl-1-pyrrolo[2,3-f]benzimidazol-1-iumyl)-2-butanesulfonic acid IUPAC Name: 4-(3-ethyl-7-isocyano-2,5-dimethylpyrrolo[2,3-f]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid Traditional Name: 4-(3-ethyl-7-isocyano-2,5-dimethyl-pyrrolo[2,3-f]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C3C(=C2)C(=CN3C)[N+]#[C-])CCC(C)S(=O)(=O)O)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C3C(=C2)C(=CN3C)[N+]#[C-])CCC(C)S(=O)(=O)O)C

InChI

InChI=1S/C18H22N4O3S/c1-6-21-13(3)22(8-7-12(2)26(23,24)25)17-9-14-15(19-4)11-20(5)16(14)10-18(17)21/h9-12H,6-8H2,1-3,5H3/p+1