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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCCCCC3)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCCCCC3)O

InChI

InChI=1S/C19H25NO3/c1-3-14-11-15-13(2)10-17(21)23-19(15)16(18(14)22)12-20-8-6-4-5-7-9-20/h10-11,22H,3-9,12H2,1-2H3/p+1