4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylisochromen-1-one

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylisochromen-1-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)isochromen-1-one CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-benzopyran-1-one IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)isochromen-1-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)isocoumarin Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=COC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=COC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3/c24-20(19-15-26-21(25)18-9-5-4-8-17(18)19)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2/p+1