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

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-(1-azepan-1-iumylmethyl)-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-2-13-9-15-14(12-19-7-5-3-4-6-8-19)10-18(21)22-17(15)11-16(13)20/h9-11,20H,2-8,12H2,1H3/p+1