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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H26N2O3/c1-2-18-12-20-19(13-23(27)28-22(20)14-21(18)26)16-25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,12-14,26H,2,8-11,15-16H2,1H3/p+1