(2E,4E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]hexa-2,4-dien-1-one

Systemtic Name: (2E,4E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]hexa-2,4-dien-1-one Openeye Name: (2E,4E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]hexa-2,4-dien-1-one CAS Name: (2E,4E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1-hexa-2,4-dienone IUPAC Name: (2E,4E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]hexa-2,4-dien-1-one Traditional Name: (2E,4E)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]hexa-2,4-dien-1-one Formula: C19H25N2O2+ MolecularWeight: 313.414

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

C/C=C/C=C/C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C19H24N2O2/c1-2-3-4-5-19(22)21-11-9-20(10-12-21)15-16-6-7-18-17(14-16)8-13-23-18/h2-7,14H,8-13,15H2,1H3/p+1/b3-2+,5-4+