4-(azepan-1-ium-1-ylmethyl)-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-6-chloro-7-methyl-chromen-2-one CAS Name: 4-(1-azepan-1-iumylmethyl)-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-6-chloro-7-methylchromen-2-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-6-chloro-7-methyl-coumarin Formula: C17H21ClNO2+ MolecularWeight: 306.80714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCC3)Cl

InChI

InChI=1S/C17H20ClNO2/c1-12-8-16-14(10-15(12)18)13(9-17(20)21-16)11-19-6-4-2-3-5-7-19/h8-10H,2-7,11H2,1H3/p+1