3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

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