3-[3-[[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[[[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methyl]indol-1-yl]propionitrile Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNCC2=CN(C3=CC=CC=C32)CCC#N)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNCC2=CN(C3=CC=CC=C32)CCC#N)C4=CC=CO4

InChI

InChI=1S/C22H26N4O/c23-10-6-13-26-17-18(19-7-1-2-8-20(19)26)15-24-16-21(22-9-5-14-27-22)25-11-3-4-12-25/h1-2,5,7-9,14,17,21,24H,3-4,6,11-13,15-16H2/p+1/t21-/m0/s1