6-chloranyl-7-ethyl-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-2-15-11-21-19(13-20(15)23)16(12-22(27)28-21)14-24-7-9-25(10-8-24)17-3-5-18(26)6-4-17/h3-6,11-13,26H,2,7-10,14H2,1H3/p+1