4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]piperazin-4-ium-2-one Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCNC(=O)C3)C

InChI

InChI=1S/C16H18N2O3/c1-10-3-4-13-12(7-15(20)21-16(13)11(10)2)8-18-6-5-17-14(19)9-18/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,19)/p+1