4-[4-[(Z)-1-cyano-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[4-[(Z)-1-cyano-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(Z)-1-cyano-2-[4-(dibutylamino)phenyl]vinyl]pyridin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[(Z)-1-cyano-2-[4-(dibutylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[(Z)-1-cyano-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(Z)-1-cyano-2-[4-(dibutylamino)phenyl]vinyl]pyridin-1-ium-1-yl]butane-1-sulfonate Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=C(C=C1)C=C(C#N)C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C26H35N3O3S/c1-3-5-16-29(17-6-4-2)26-11-9-23(10-12-26)21-25(22-27)24-13-18-28(19-14-24)15-7-8-20-33(30,31)32/h9-14,18-19,21H,3-8,15-17,20H2,1-2H3