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5-(1-ethenyl-2,3-dimethyl-indol-1-ium-3-yl)pentanoic acid

5-(1-ethenyl-2,3-dimethyl-indol-1-ium-3-yl)pentanoic acid

Systemtic Name:5-(1-ethenyl-2,3-dimethyl-indol-1-ium-3-yl)pentanoic acid
Openeye Name:5-(2,3-dimethyl-1-vinyl-indol-1-ium-3-yl)pentanoic acid
CAS Name:5-(1-ethenyl-2,3-dimethyl-3-indol-1-iumyl)pentanoic acid
IUPAC Name:5-(1-ethenyl-2,3-dimethylindol-1-ium-3-yl)pentanoic acid
Traditional Name:5-(2,3-dimethyl-1-vinyl-indol-1-ium-3-yl)valeric acid
Formula: C17H22NO2+
MolecularWeight: 272.36208
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H21NO2/c1-4-18-13(2)17(3,12-8-7-11-16(19)20)14-9-5-6-10-15(14)18/h4-6,9-10H,1,7-8,11-12H2,2-3H3/p+1


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