6-ethoxy-4-[[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethoxy-4-[[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-(o-tolylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-(2-methylbenzyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C24H28N2O3/c1-3-28-21-8-9-23-22(15-21)20(14-24(27)29-23)17-26-12-10-25(11-13-26)16-19-7-5-4-6-18(19)2/h4-9,14-15H,3,10-13,16-17H2,1-2H3/p+1