7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCC3)C

InChI

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