5-(1-ethyl-1-methyl-indol-1-ium-3-yl)-1,2-dihydropyrazine-2-carboxylic acid

Systemtic Name: 5-(1-ethyl-1-methyl-indol-1-ium-3-yl)-1,2-dihydropyrazine-2-carboxylic acid Openeye Name: 5-(1-ethyl-1-methyl-indol-1-ium-3-yl)-1,2-dihydropyrazine-2-carboxylic acid CAS Name: 5-(1-ethyl-1-methyl-3-indol-1-iumyl)-1,2-dihydropyrazine-2-carboxylic acid IUPAC Name: 5-(1-ethyl-1-methylindol-1-ium-3-yl)-1,2-dihydropyrazine-2-carboxylic acid Traditional Name: 5-(1-ethyl-1-methyl-indol-1-ium-3-yl)-1,2-dihydropyrazine-2-carboxylic acid Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C2=CC=CC=C21)C3=CNC(C=N3)C(=O)O)C

Isomeric SMILES

CC[N+]1(C=C(C2=CC=CC=C21)C3=CNC(C=N3)C(=O)O)C

InChI

InChI=1S/C16H17N3O2/c1-3-19(2)10-12(11-6-4-5-7-15(11)19)13-8-18-14(9-17-13)16(20)21/h4-10,14,18H,3H2,1-2H3/p+1