1-[[2-(4-chlorophenyl)-1-methyl-indol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[2-(4-chlorophenyl)-1-methyl-indol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[2-(4-chlorophenyl)-1-methyl-indol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-1-methyl-3-indolyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[2-(4-chlorophenyl)-1-methylindol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-chlorophenyl)-1-methyl-indol-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)Cl)C[NH+]4CCC(CC4)C(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)Cl)C[NH+]4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C22H23ClN2O2/c1-24-20-5-3-2-4-18(20)19(21(24)15-6-8-17(23)9-7-15)14-25-12-10-16(11-13-25)22(26)27/h2-9,16H,10-14H2,1H3,(H,26,27)