3-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]isochromen-1-one

Systemtic Name: 3-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]isochromen-1-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]isochromen-1-one CAS Name: 3-[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-benzopyran-1-one IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]isochromen-1-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]isocoumarin Formula: C27H25N2O3+ MolecularWeight: 425.499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H24N2O3/c30-26(29-16-14-28(15-17-29)19-20-8-2-1-3-9-20)24-13-7-6-12-23(24)25-18-21-10-4-5-11-22(21)27(31)32-25/h1-13,18H,14-17,19H2/p+1