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

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-7-methyl-chromen-2-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-7-methyl-chromen-2-one CAS Name: 4-(1-azepan-1-iumylmethyl)-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-7-methylchromen-2-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-7-methyl-coumarin Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H21NO2/c1-13-6-7-15-14(11-17(19)20-16(15)10-13)12-18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9,12H2,1H3/p+1