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

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-isopropyl-chromen-2-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-isopropyl-coumarin Formula: C19H27N2O2+ MolecularWeight: 315.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC(=O)OC3=C2C=C(C=C3)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC(=O)OC3=C2C=C(C=C3)C(C)C

InChI

InChI=1S/C19H26N2O2/c1-4-20-7-9-21(10-8-20)13-16-12-19(22)23-18-6-5-15(14(2)3)11-17(16)18/h5-6,11-12,14H,4,7-10,13H2,1-3H3/p+1