5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoic acid

Systemtic Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoic acid Openeye Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoic acid CAS Name: 5-(2,3,3-trimethyl-1-indol-1-iumyl)pentanoic acid IUPAC Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoic acid Traditional Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)valeric acid Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCC(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCC(=O)O

InChI

InChI=1S/C16H21NO2/c1-12-16(2,3)13-8-4-5-9-14(13)17(12)11-7-6-10-15(18)19/h4-5,8-9H,6-7,10-11H2,1-3H3/p+1