(3R)-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (3R)-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: (3R)-3-(1-ethylindol-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)-3-(p-tolyl)propanamide CAS Name: (3R)-3-(1-ethyl-3-indolyl)-3-(4-methylphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: (3R)-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: (3R)-3-(1-ethylindol-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)-3-(p-tolyl)propionamide Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H35N3O/c1-3-30-20-25(23-9-5-6-10-26(23)30)24(22-13-11-21(2)12-14-22)19-27(31)28-15-18-29-16-7-4-8-17-29/h5-6,9-14,20,24H,3-4,7-8,15-19H2,1-2H3,(H,28,31)/p+1/t24-/m1/s1