methyl 1-[9-(3-methoxycarbonylpyridin-1-ium-1-yl)nonyl]indole-2-carboxylate

Systemtic Name: methyl 1-[9-(3-methoxycarbonylpyridin-1-ium-1-yl)nonyl]indole-2-carboxylate Openeye Name: methyl 1-[9-(3-methoxycarbonylpyridin-1-ium-1-yl)nonyl]indole-2-carboxylate CAS Name: 1-[9-(3-methoxycarbonyl-1-pyridin-1-iumyl)nonyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[9-(3-methoxycarbonylpyridin-1-ium-1-yl)nonyl]indole-2-carboxylate Traditional Name: 1-[9-(3-carbomethoxypyridin-1-ium-1-yl)nonyl]indole-2-carboxylic acid methyl ester Formula: C26H33N2O4+ MolecularWeight: 437.55122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC

InChI

InChI=1S/C26H33N2O4/c1-31-25(29)22-14-12-17-27(20-22)16-10-6-4-3-5-7-11-18-28-23-15-9-8-13-21(23)19-24(28)26(30)32-2/h8-9,12-15,17,19-20H,3-7,10-11,16,18H2,1-2H3/q+1