6-chloranyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C16H19ClNO3+ MolecularWeight: 308.77996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

InChI

InChI=1S/C16H18ClNO3/c1-10-2-4-18(5-3-10)9-11-6-16(20)21-15-8-14(19)13(17)7-12(11)15/h6-8,10,19H,2-5,9H2,1H3/p+1