7-methyl-4-(piperazine-1,4-diium-1-ylmethyl)chromen-2-one

Systemtic Name: 7-methyl-4-(piperazine-1,4-diium-1-ylmethyl)chromen-2-one Openeye Name: 7-methyl-4-(piperazine-1,4-diium-1-ylmethyl)chromen-2-one CAS Name: 7-methyl-4-(1-piperazine-1,4-diiumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-methyl-4-(piperazine-1,4-diium-1-ylmethyl)chromen-2-one Traditional Name: 7-methyl-4-(piperazine-1,4-diium-1-ylmethyl)coumarin Formula: C15H20N2O2+2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH2+]CC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C15H18N2O2/c1-11-2-3-13-12(9-15(18)19-14(13)8-11)10-17-6-4-16-5-7-17/h2-3,8-9,16H,4-7,10H2,1H3/p+2