6-chloranyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-chloro-chromen-2-one CAS Name: 6-chloro-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-chlorochromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-chloro-coumarin Formula: C21H23ClN2O2+2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=C(C=C4)Cl

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+2