4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C18H26N2O3+2 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCO)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCO)C

InChI

InChI=1S/C18H24N2O3/c1-13-9-16-15(11-18(22)23-17(16)10-14(13)2)12-20-5-3-19(4-6-20)7-8-21/h9-11,21H,3-8,12H2,1-2H3/p+2