7-methoxy-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

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