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

Systemtic Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-ethanoate Openeye Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-acetate CAS Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-(1-pyrrolidin-1-iumyl)acetate IUPAC Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylacetate Traditional Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-acetate Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H21N3O3/c25-20(14-6-2-1-3-7-14)23-15-8-9-18-16(12-15)17(13-22-18)19(21(26)27)24-10-4-5-11-24/h1-3,6-9,12-13,19,22H,4-5,10-11H2,(H,23,25)(H,26,27)/t19-/m1/s1