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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloranyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloro-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-6-chloro-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloro-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-6-chloro-7-hydroxy-4-methyl-coumarin Formula: C17H21ClNO3+ MolecularWeight: 322.80654

Click to see the large picture

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/p+1