4-butyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-butyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-butyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 4-butyl-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 4-butyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C19H28N2O3+2 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

InChI

InChI=1S/C19H26N2O3/c1-3-4-5-14-12-18(23)24-19-15(14)6-7-17(22)16(19)13-21-10-8-20(2)9-11-21/h6-7,12,22H,3-5,8-11,13H2,1-2H3/p+2