2-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]ethanoate

Systemtic Name: 2-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]ethanoate Openeye Name: 2-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]acetate CAS Name: 2-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-indolyl]acetate IUPAC Name: 2-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]acetate Traditional Name: 2-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]acetate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C=C(C3=CC=CC=C32)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C=C(C3=CC=CC=C32)CC(=O)[O-]

InChI

InChI=1S/C16H20N2O2/c19-16(20)11-13-12-18(10-9-17-7-3-4-8-17)15-6-2-1-5-14(13)15/h1-2,5-6,12H,3-4,7-11H2,(H,19,20)