N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c26-21(15-23-22(27)18-4-2-1-3-5-18)25-11-9-24(10-12-25)16-17-6-7-20-19(14-17)8-13-28-20/h1-7,14H,8-13,15-16H2,(H,23,27)/p+1