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

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-(1-azocan-1-iumylmethyl)-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-(azocan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-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[NH+]3CCCCCCC3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCCCCC3)O

InChI

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