2-[1,1-bis(prop-2-enyl)indol-1-ium-3-yl]ethanoic acid

Systemtic Name: 2-[1,1-bis(prop-2-enyl)indol-1-ium-3-yl]ethanoic acid Openeye Name: 2-(1,1-diallylindol-1-ium-3-yl)acetic acid CAS Name: 2-[1,1-bis(prop-2-enyl)-3-indol-1-iumyl]acetic acid IUPAC Name: 2-[1,1-bis(prop-2-enyl)indol-1-ium-3-yl]acetic acid Traditional Name: 2-(1,1-diallylindol-1-ium-3-yl)acetic acid Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(C=C(C2=CC=CC=C21)CC(=O)O)CC=C

Isomeric SMILES

C=CC[N+]1(C=C(C2=CC=CC=C21)CC(=O)O)CC=C

InChI

InChI=1S/C16H17NO2/c1-3-9-17(10-4-2)12-13(11-16(18)19)14-7-5-6-8-15(14)17/h3-8,12H,1-2,9-11H2/p+1