4-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[2-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[2-[(E)-2-(9-ethyl-3-carbazolyl)ethenyl]-1-quinolin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[2-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=CC3=[N+](C4=CC=CC=C4C=C3)CCCCS(=O)(=O)[O-])C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4C=C3)CCCCS(=O)(=O)[O-])C5=CC=CC=C51

InChI

InChI=1S/C29H28N2O3S/c1-2-30-28-12-6-4-10-25(28)26-21-22(14-18-29(26)30)13-16-24-17-15-23-9-3-5-11-27(23)31(24)19-7-8-20-35(32,33)34/h3-6,9-18,21H,2,7-8,19-20H2,1H3