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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-chloro-7-methyl-coumarin Formula: C23H25ClNO2+ MolecularWeight: 382.9031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H24ClNO2/c1-16-11-22-20(14-21(16)24)19(13-23(26)27-22)15-25-9-7-18(8-10-25)12-17-5-3-2-4-6-17/h2-6,11,13-14,18H,7-10,12,15H2,1H3/p+1