6-bromanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-bromo-chromen-2-one CAS Name: 6-bromo-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-bromochromen-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-bromo-coumarin Formula: C21H20BrN2O3+ MolecularWeight: 428.2991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C21H19BrN2O3/c22-17-6-7-19-16(12-17)13-18(21(26)27-19)20(25)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1