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

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

Systemtic Name:4-(azepan-1-ium-1-ylmethyl)-7-methyl-6-oxidanyl-chromen-2-one
Openeye Name:4-(azepan-1-ium-1-ylmethyl)-6-hydroxy-7-methyl-chromen-2-one
CAS Name:4-(1-azepan-1-iumylmethyl)-6-hydroxy-7-methyl-1-benzopyran-2-one
IUPAC Name:4-(azepan-1-ium-1-ylmethyl)-6-hydroxy-7-methylchromen-2-one
Traditional Name:4-(azepan-1-ium-1-ylmethyl)-6-hydroxy-7-methyl-coumarin
Formula: C17H22NO3+
MolecularWeight: 288.36148
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCC3)O


Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCC3)O


InChI

InChI=1S/C17H21NO3/c1-12-8-16-14(10-15(12)19)13(9-17(20)21-16)11-18-6-4-2-3-5-7-18/h8-10,19H,2-7,11H2,1H3/p+1


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