3-(azepan-1-ium-1-ylmethyl)-6-chloranyl-chromen-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-chloranyl-chromen-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-chloro-chromen-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-6-chloro-1-benzopyran-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-6-chlorochromen-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-chloro-chromone Formula: C16H19ClNO2+ MolecularWeight: 292.78056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C16H18ClNO2/c17-13-5-6-15-14(9-13)16(19)12(11-20-15)10-18-7-3-1-2-4-8-18/h5-6,9,11H,1-4,7-8,10H2/p+1