4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-isopropyl-chromen-2-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-isopropyl-coumarin Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-14(2)15-3-4-18-17(11-15)16(12-19(23)24-18)13-21-7-5-20(6-8-21)9-10-22/h3-4,11-12,14,22H,5-10,13H2,1-2H3/p+1