3-(4-methylpiperazin-4-ium-1-yl)carbonyl-8-prop-2-enyl-chromen-2-one

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonyl-8-prop-2-enyl-chromen-2-one Openeye Name: 8-allyl-3-(4-methylpiperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-8-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-8-prop-2-enylchromen-2-one Traditional Name: 8-allyl-3-(4-methylpiperazin-4-ium-1-carbonyl)coumarin Formula: C18H21N2O3+ MolecularWeight: 313.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C(=CC=C3)CC=C)OC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C(=CC=C3)CC=C)OC2=O

InChI

InChI=1S/C18H20N2O3/c1-3-5-13-6-4-7-14-12-15(18(22)23-16(13)14)17(21)20-10-8-19(2)9-11-20/h3-4,6-7,12H,1,5,8-11H2,2H3/p+1