3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylisochromen-1-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylisochromen-1-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)isochromen-1-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-benzopyran-1-one IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)isochromen-1-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)isocoumarin Formula: C27H25N2O3+ MolecularWeight: 425.499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C(=O)O4

InChI

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