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

Systemtic Name: 4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butanoic acid Openeye Name: 4-[4-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]quinolin-1-ium-1-yl]butanoic acid CAS Name: 4-[4-[(E)-2-(9-ethyl-3-carbazolyl)ethenyl]-1-quinolin-1-iumyl]butanoic acid IUPAC Name: 4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butanoic acid Traditional Name: 4-[4-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]quinolin-1-ium-1-yl]butyric acid Formula: C29H27N2O2+ MolecularWeight: 435.53688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=CC3=CC=[N+](C4=CC=CC=C34)CCCC(=O)O)C5=CC=CC=C51

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O2/c1-2-31-27-11-6-4-9-24(27)25-20-21(14-16-28(25)31)13-15-22-17-19-30(18-7-12-29(32)33)26-10-5-3-8-23(22)26/h3-6,8-11,13-17,19-20H,2,7,12,18H2,1H3/p+1