3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)O)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)O)C)C

InChI

InChI=1S/C26H28N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-11-21-17-16-20-10-4-6-13-23(20)28(21)18-9-19-32(29,30)31/h4-8,10-17H,9,18-19H2,1-3H3/p+1