3-[3-(2-morpholin-4-ium-4-ylethanoyl)indol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-morpholin-4-ium-4-ylethanoyl)indol-1-yl]propanenitrile Openeye Name: 3-[3-(2-morpholin-4-ium-4-ylacetyl)indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2-morpholin-4-ium-4-ylacetyl)indol-1-yl]propanenitrile Traditional Name: 3-[3-(2-morpholin-4-ium-4-ylacetyl)indol-1-yl]propionitrile Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C1COCC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C17H19N3O2/c18-6-3-7-20-12-15(14-4-1-2-5-16(14)20)17(21)13-19-8-10-22-11-9-19/h1-2,4-5,12H,3,7-11,13H2/p+1