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

Systemtic Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C18H25N2O2+ MolecularWeight: 301.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C

InChI

InChI=1S/C18H24N2O2/c1-13(2)14-4-5-17-16(10-14)15(11-18(21)22-17)12-20-8-6-19(3)7-9-20/h4-5,10-11,13H,6-9,12H2,1-3H3/p+1