4-ethyl-8-methyl-7-oxidanyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 4-ethyl-8-methyl-7-oxidanyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 4-ethyl-7-hydroxy-8-methyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 4-ethyl-7-hydroxy-8-methyl-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-hydroxy-8-methyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 4-ethyl-7-hydroxy-8-methyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4)O)C

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C23H26N2O3/c1-3-17-14-21(26)28-23-16(2)22(27)18(13-20(17)23)15-24-9-11-25(12-10-24)19-7-5-4-6-8-19/h4-8,13-14,27H,3,9-12,15H2,1-2H3/p+1