4-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one

Systemtic Name: 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one Openeye Name: 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-ethoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxychromen-2-one Traditional Name: 4-[[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-coumarin Formula: C23H26ClN2O3+ MolecularWeight: 413.91714

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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=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H25ClN2O3/c1-2-28-20-6-7-22-21(14-20)18(13-23(27)29-22)16-26-10-8-25(9-11-26)15-17-4-3-5-19(24)12-17/h3-7,12-14H,2,8-11,15-16H2,1H3/p+1