8-methyl-7-oxidanyl-4-[[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CCC4=CC=NC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CCC4=CC=NC=C4)O

InChI

InChI=1S/C22H25N3O3/c1-16-20(26)3-2-19-18(14-21(27)28-22(16)19)15-25-12-10-24(11-13-25)9-6-17-4-7-23-8-5-17/h2-5,7-8,14,26H,6,9-13,15H2,1H3/p+1