3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]propionitrile Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CCC#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CCC#N

InChI

InChI=1S/C16H21N3O/c17-5-1-6-18-7-9-19(10-8-18)13-14-2-3-16-15(12-14)4-11-20-16/h2-3,12H,1,4,6-11,13H2/p+1