(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-chloro-4-oxo-chromen-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (6-chloro-4-oxo-1-benzopyran-3-yl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (6-chloro-4-oxochromen-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-chloro-4-keto-chromen-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C17H23ClN2O2+2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN2O2/c1-19-7-5-14(6-8-19)20(2)10-12-11-22-16-4-3-13(18)9-15(16)17(12)21/h3-4,9,11,14H,5-8,10H2,1-2H3/p+2