2-piperidin-1-ium-1-ylethyl 2,3-dimethyl-1-(phenylmethyl)indole-5-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2,3-dimethyl-1-(phenylmethyl)indole-5-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 1-benzyl-2,3-dimethyl-indole-5-carboxylate CAS Name: 2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 1-benzyl-2,3-dimethylindole-5-carboxylate Traditional Name: 1-benzyl-2,3-dimethyl-indole-5-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)OCC[NH+]3CCCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)OCC[NH+]3CCCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N2O2/c1-19-20(2)27(18-21-9-5-3-6-10-21)24-12-11-22(17-23(19)24)25(28)29-16-15-26-13-7-4-8-14-26/h3,5-6,9-12,17H,4,7-8,13-16,18H2,1-2H3/p+1