(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CN(N=C3)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CN(N=C3)C)C

InChI

InChI=1S/C18H21N3O2/c1-12-5-16-15(7-18(22)23-17(16)6-13(12)2)11-20(3)9-14-8-19-21(4)10-14/h5-8,10H,9,11H2,1-4H3/p+1