4-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)butanoate

Systemtic Name: 4-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)butanoate Openeye Name: 4-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)butanoate CAS Name: 4-[2-(1-pyridin-1-iumyl)-1H-indol-3-yl]butanoate IUPAC Name: 4-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)butanoate Traditional Name: 4-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)butyrate Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3N2)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3N2)CCCC(=O)[O-]

InChI

InChI=1S/C17H16N2O2/c20-16(21)10-6-8-14-13-7-2-3-9-15(13)18-17(14)19-11-4-1-5-12-19/h1-5,7,9,11-12,18H,6,8,10H2