4-azanyl-5-chloranyl-N-[3-methoxy-1-[2-(1-oxidanylidene-4H-phthalazin-2-ium-2-yl)ethyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 4-azanyl-5-chloranyl-N-[3-methoxy-1-[2-(1-oxidanylidene-4H-phthalazin-2-ium-2-yl)ethyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-amino-5-chloro-N-[3-methoxy-1-[2-(1-oxo-4H-phthalazin-2-ium-2-yl)ethyl]-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 4-amino-5-chloro-N-[3-methoxy-1-[2-(1-oxo-4H-phthalazin-2-ium-2-yl)ethyl]-4-piperidinyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 4-amino-5-chloro-N-[3-methoxy-1-[2-(1-oxo-4H-phthalazin-2-ium-2-yl)ethyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-amino-5-chloro-N-[1-[2-(1-keto-4H-phthalazin-2-ium-2-yl)ethyl]-3-methoxy-4-piperidyl]coumaran-7-carboxamide Formula: C25H29ClN5O4+ MolecularWeight: 498.98186

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CC[N+]4=NCC5=CC=CC=C5C4=O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CC[N+]4=NCC5=CC=CC=C5C4=O

InChI

InChI=1S/C25H28ClN5O4/c1-34-21-14-30(9-10-31-25(33)16-5-3-2-4-15(16)13-28-31)8-6-20(21)29-24(32)18-12-19(26)22(27)17-7-11-35-23(17)18/h2-5,12,20-21H,6-11,13-14H2,1H3,(H2-,27,29,32)/p+1