8-(azepan-1-ium-1-ylmethyl)-6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloro-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-6-chloro-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloro-4-methyl-2-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloro-2-keto-4-methyl-chromen-7-olate Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCCCCC3

InChI

InChI=1S/C17H20ClNO3/c1-11-8-15(20)22-17-12(11)9-14(18)16(21)13(17)10-19-6-4-2-3-5-7-19/h8-9,21H,2-7,10H2,1H3