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

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

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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

Isomeric SMILES

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

InChI

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