4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 3-benzyl-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-16-18-8-9-21(26)20(15-25-12-10-24(2)11-13-25)22(18)28-23(27)19(16)14-17-6-4-3-5-7-17/h3-9,26H,10-15H2,1-2H3/p+2