methyl 1-(7-pyridin-1-ium-1-ylheptyl)indole-6-carboxylate

Systemtic Name: methyl 1-(7-pyridin-1-ium-1-ylheptyl)indole-6-carboxylate Openeye Name: methyl 1-(7-pyridin-1-ium-1-ylheptyl)indole-6-carboxylate CAS Name: 1-[7-(1-pyridin-1-iumyl)heptyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(7-pyridin-1-ium-1-ylheptyl)indole-6-carboxylate Traditional Name: 1-(7-pyridin-1-ium-1-ylheptyl)indole-6-carboxylic acid methyl ester Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C=CN2CCCCCCC[N+]3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C=CN2CCCCCCC[N+]3=CC=CC=C3

InChI

InChI=1S/C22H27N2O2/c1-26-22(25)20-11-10-19-12-17-24(21(19)18-20)16-9-4-2-3-6-13-23-14-7-5-8-15-23/h5,7-8,10-12,14-15,17-18H,2-4,6,9,13,16H2,1H3/q+1