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

Systemtic Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)indol-1-yl]propanoate Openeye Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)indol-1-yl]propanoate CAS Name: 3-[3-(1-pyrrolidin-1-iumylmethyl)-1-indolyl]propanoate IUPAC Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)indol-1-yl]propanoate Traditional Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)indol-1-yl]propionate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CN(C3=CC=CC=C32)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CN(C3=CC=CC=C32)CCC(=O)[O-]

InChI

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