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

Systemtic Name: 2-chloranyl-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 2-chloro-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 2-chloro-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 2-chloro-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 2-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=C4Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C4=CC=CC=C4Cl

InChI

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