6-chloranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-chloranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-6-chloro-chromen-4-one CAS Name: 6-chloro-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-6-chlorochromen-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-6-chloro-chromone Formula: C21H20ClN2O3+ MolecularWeight: 383.8481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H19ClN2O3/c22-16-6-7-19-17(12-16)18(25)13-20(27-19)21(26)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1