[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 3-nitrobenzoate iodide

Systemtic Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 3-nitrobenzoate iodide Openeye Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 3-nitrobenzoate iodide CAS Name: 3-nitrobenzoic acid [2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl] ester iodide IUPAC Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl] 3-nitrobenzoate iodide Traditional Name: 3-nitrobenzoic acid [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] ester iodide Formula: C20H23IN2O4 MolecularWeight: 482.31209

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C20H23N2O4.HI/c1-22(12-5-6-13-22)15-19(16-8-3-2-4-9-16)26-20(23)17-10-7-11-18(14-17)21(24)25;/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3;1H/q+1;/p-1