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

Systemtic Name: 4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-(9-ethyl-3-carbazolyl)ethenyl]-1-quinolin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(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=CC=[N+](C4=CC=CC=C34)CCCCS(=O)(=O)[O-])C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)/C=C/C3=CC=[N+](C4=CC=CC=C34)CCCCS(=O)(=O)[O-])C5=CC=CC=C51

InChI

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