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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)chromen-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)coumarin 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=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

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