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

Systemtic Name: 6-chloranyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-chromen-2-one CAS Name: 6-chloro-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chlorochromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-coumarin Formula: C21H22ClN2O2+ MolecularWeight: 369.86458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O2/c22-18-6-7-20-19(13-18)17(12-21(25)26-20)15-24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2/p+1