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

Systemtic Name: 4-[4-[(E)-2-(9-ethylcarbazol-4-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-(9-ethylcarbazol-4-yl)vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-(9-ethyl-4-carbazolyl)ethenyl]-1-quinolin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-(9-ethylcarbazol-4-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(E)-2-(9-ethylcarbazol-4-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=CC=CC=C2C3=C(C=CC=C31)C=CC4=CC=[N+](C5=CC=CC=C45)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C(C=CC=C31)/C=C/C4=CC=[N+](C5=CC=CC=C45)CCCCS(=O)(=O)[O-]

InChI

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