3-[3-(2-piperidin-1-ium-1-ylethanoyl)indol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-piperidin-1-ium-1-ylethanoyl)indol-1-yl]propanenitrile Openeye Name: 3-[3-(2-piperidin-1-ium-1-ylacetyl)indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2-piperidin-1-ium-1-ylacetyl)indol-1-yl]propanenitrile Traditional Name: 3-[3-(2-piperidin-1-ium-1-ylacetyl)indol-1-yl]propionitrile Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C18H21N3O/c19-9-6-12-21-13-16(15-7-2-3-8-17(15)21)18(22)14-20-10-4-1-5-11-20/h2-3,7-8,13H,1,4-6,10-12,14H2/p+1