4-(azepan-1-ium-1-ylmethyl)-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-(1-azepan-1-iumylmethyl)-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-7-hydroxy-8-methyl-coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCCCC3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCCCC3)O

InChI

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