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

Systemtic Name: 3-chloranyl-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-chloro-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-chloro-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 3-chloro-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-chloro-N-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3/c23-19-3-1-2-18(13-19)22(28)24-14-21(27)26-9-7-25(8-10-26)15-16-4-5-20-17(12-16)6-11-29-20/h1-5,12-13H,6-11,14-15H2,(H,24,28)/p+1