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

Systemtic Name: 4-[4-[(Z)-1-cyano-2-[4-(dihexylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(Z)-1-cyano-2-[4-(dihexylamino)phenyl]vinyl]pyridin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[(Z)-1-cyano-2-[4-(dihexylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[(Z)-1-cyano-2-[4-(dihexylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(Z)-1-cyano-2-[4-(dihexylamino)phenyl]vinyl]pyridin-1-ium-1-yl]butane-1-sulfonate Formula: C30H43N3O3S MolecularWeight: 525.74572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C=C(C#N)C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C30H43N3O3S/c1-3-5-7-9-20-33(21-10-8-6-4-2)30-15-13-27(14-16-30)25-29(26-31)28-17-22-32(23-18-28)19-11-12-24-37(34,35)36/h13-18,22-23,25H,3-12,19-21,24H2,1-2H3