6-chloranyl-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one Openeye Name: 6-chloro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one CAS Name: 6-chloro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 6-chloro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromone Formula: C16H20ClN2O2+ MolecularWeight: 307.7952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN2O2/c1-18-5-2-6-19(8-7-18)10-12-11-21-15-4-3-13(17)9-14(15)16(12)20/h3-4,9,11H,2,5-8,10H2,1H3/p+1