(1,1-dimethylazepan-1-ium-2-yl)methyl 1H-indole-3-carboxylate

Systemtic Name: (1,1-dimethylazepan-1-ium-2-yl)methyl 1H-indole-3-carboxylate Openeye Name: (1,1-dimethylazepan-1-ium-2-yl)methyl 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid (1,1-dimethyl-2-azepan-1-iumyl)methyl ester IUPAC Name: (1,1-dimethylazepan-1-ium-2-yl)methyl 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid (1,1-dimethylazepan-1-ium-2-yl)methyl ester Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1COC(=O)C2=CNC3=CC=CC=C32)C

Isomeric SMILES

C[N+]1(CCCCCC1COC(=O)C2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C18H24N2O2/c1-20(2)11-7-3-4-8-14(20)13-22-18(21)16-12-19-17-10-6-5-9-15(16)17/h5-6,9-10,12,14H,3-4,7-8,11,13H2,1-2H3/p+1