(2R)-2-(5-benzamido-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-ethanoate

Systemtic Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-ethanoate Openeye Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate CAS Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-(1-piperidin-1-iumyl)acetate IUPAC Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-piperidin-1-ium-1-ylacetate Traditional Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H23N3O3/c26-21(15-7-3-1-4-8-15)24-16-9-10-19-17(13-16)18(14-23-19)20(22(27)28)25-11-5-2-6-12-25/h1,3-4,7-10,13-14,20,23H,2,5-6,11-12H2,(H,24,26)(H,27,28)/t20-/m1/s1