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

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-7-methoxy-chromen-2-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-7-methoxy-chromen-2-one CAS Name: 4-(1-azepan-1-iumylmethyl)-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-7-methoxychromen-2-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-7-methoxy-coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H21NO3/c1-20-14-6-7-15-13(10-17(19)21-16(15)11-14)12-18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9,12H2,1H3/p+1