3-[6-chloranyl-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]-3-prop-2-enyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[6-chloranyl-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]-3-prop-2-enyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[3-allyl-6-chloro-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]benzimidazol-3-ium-1-yl]propane-1-sulfonate CAS Name: 3-[6-chloro-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]-3-prop-2-enyl-1-benzimidazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[6-chloro-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]-3-prop-2-enylbenzimidazol-3-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[3-allyl-6-chloro-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]benzimidazol-3-ium-1-yl]propane-1-sulfonate Formula: C24H26ClN3O5S MolecularWeight: 503.99834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC)OC1=CC3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)Cl)CC=C

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)OC)O/C1=C/C3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)Cl)CC=C

InChI

InChI=1S/C24H26ClN3O5S/c1-4-11-27-19-9-7-17(25)14-20(19)28(12-6-13-34(29,30)31)23(27)16-24-26(5-2)21-15-18(32-3)8-10-22(21)33-24/h4,7-10,14-16H,1,5-6,11-13H2,2-3H3