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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4)O

InChI

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