6-ethoxy-4-[[4-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethoxy-4-[[4-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)methyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]piperazino]methyl]coumarin Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=[NH+]C=C(C(=C4C)OC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=[NH+]C=C(C(=C4C)OC)C

InChI

InChI=1S/C25H31N3O4/c1-5-31-20-6-7-23-21(13-20)19(12-24(29)32-23)15-27-8-10-28(11-9-27)16-22-18(3)25(30-4)17(2)14-26-22/h6-7,12-14H,5,8-11,15-16H2,1-4H3/p+1