7-methoxy-4-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(3-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=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

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