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

Systemtic Name: 4-chloranyl-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide Openeye Name: 4-chloro-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]pyridine-2-carboxamide CAS Name: 4-chloro-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-pyridinecarboxamide IUPAC Name: 4-chloro-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]pyridine-2-carboxamide Traditional Name: 4-chloro-N-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]picolinamide Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3/c22-17-3-5-23-18(12-17)21(28)24-13-20(27)26-8-6-25(7-9-26)14-15-1-2-19-16(11-15)4-10-29-19/h1-3,5,11-12H,4,6-10,13-14H2,(H,24,28)/p+1