methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]propionic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-14-7-9-23(10-8-14)13-19(24)22-18(20(25)26-2)11-15-12-21-17-6-4-3-5-16(15)17/h3-6,12,14,18,21H,7-11,13H2,1-2H3,(H,22,24)/p+1/t18-/m1/s1