3-(1-ethenyl-2,3,3-trimethyl-indol-1-ium-5-yl)propanoic acid

Systemtic Name: 3-(1-ethenyl-2,3,3-trimethyl-indol-1-ium-5-yl)propanoic acid Openeye Name: 3-(2,3,3-trimethyl-1-vinyl-indol-1-ium-5-yl)propanoic acid CAS Name: 3-(1-ethenyl-2,3,3-trimethyl-5-indol-1-iumyl)propanoic acid IUPAC Name: 3-(1-ethenyl-2,3,3-trimethylindol-1-ium-5-yl)propanoic acid Traditional Name: 3-(2,3,3-trimethyl-1-vinyl-indol-1-ium-5-yl)propionic acid Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)CCC(=O)O)C=C

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)CCC(=O)O)C=C

InChI

InChI=1S/C16H19NO2/c1-5-17-11(2)16(3,4)13-10-12(6-8-14(13)17)7-9-15(18)19/h5-6,8,10H,1,7,9H2,2-4H3/p+1