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

Systemtic Name: 3-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]propanoate Openeye Name: 3-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]propanoate CAS Name: 3-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-indolyl]propanoate IUPAC Name: 3-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]propanoate Traditional Name: 3-[1-(2-pyrrolidin-1-ium-1-ylethyl)indol-3-yl]propionate Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2/c20-17(21)8-7-14-13-19(12-11-18-9-3-4-10-18)16-6-2-1-5-15(14)16/h1-2,5-6,13H,3-4,7-12H2,(H,20,21)