methyl 5-phenylmethoxy-1-(7-pyridin-1-ium-1-ylheptyl)indole-2-carboxylate

Systemtic Name: methyl 5-phenylmethoxy-1-(7-pyridin-1-ium-1-ylheptyl)indole-2-carboxylate Openeye Name: methyl 5-benzyloxy-1-(7-pyridin-1-ium-1-ylheptyl)indole-2-carboxylate CAS Name: 5-phenylmethoxy-1-[7-(1-pyridin-1-iumyl)heptyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-phenylmethoxy-1-(7-pyridin-1-ium-1-ylheptyl)indole-2-carboxylate Traditional Name: 5-benzoxy-1-(7-pyridin-1-ium-1-ylheptyl)indole-2-carboxylic acid methyl ester Formula: C29H33N2O3+ MolecularWeight: 457.58392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CCCCCCC[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(N1CCCCCCC[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33N2O3/c1-33-29(32)28-22-25-21-26(34-23-24-13-7-5-8-14-24)15-16-27(25)31(28)20-12-4-2-3-9-17-30-18-10-6-11-19-30/h5-8,10-11,13-16,18-19,21-22H,2-4,9,12,17,20,23H2,1H3/q+1