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6-(azepan-1-ium-1-ylmethyl)-3,4,8-trimethyl-7-oxidanyl-chromen-2-one

6-(azepan-1-ium-1-ylmethyl)-3,4,8-trimethyl-7-oxidanyl-chromen-2-one

Systemtic Name:6-(azepan-1-ium-1-ylmethyl)-3,4,8-trimethyl-7-oxidanyl-chromen-2-one
Openeye Name:6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3,4,8-trimethyl-chromen-2-one
CAS Name:6-(1-azepan-1-iumylmethyl)-7-hydroxy-3,4,8-trimethyl-1-benzopyran-2-one
IUPAC Name:6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3,4,8-trimethylchromen-2-one
Traditional Name:6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3,4,8-trimethyl-coumarin
Formula: C19H26NO3+
MolecularWeight: 316.41464
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCCCC3)O)C)C


Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCCCC3)O)C)C


InChI

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


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