1-(1-methylpiperidin-2-yl)-1-(phenylmethyl)indol-1-ium-3-carboxylate

Systemtic Name: 1-(1-methylpiperidin-2-yl)-1-(phenylmethyl)indol-1-ium-3-carboxylate Openeye Name: 1-benzyl-1-(1-methyl-2-piperidyl)indol-1-ium-3-carboxylate CAS Name: 1-(1-methyl-2-piperidinyl)-1-(phenylmethyl)-3-indol-1-iumcarboxylate IUPAC Name: 1-benzyl-1-(1-methylpiperidin-2-yl)indol-1-ium-3-carboxylate Traditional Name: 1-benzyl-1-(1-methyl-2-piperidyl)indol-1-ium-3-carboxylate Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1[N+]2(C=C(C3=CC=CC=C32)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CN1CCCCC1[N+]2(C=C(C3=CC=CC=C32)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c1-23-14-8-7-13-21(23)24(15-17-9-3-2-4-10-17)16-19(22(25)26)18-11-5-6-12-20(18)24/h2-6,9-12,16,21H,7-8,13-15H2,1H3