8-[(R)-(2-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4-methyl-7-oxidanyl-benzo[h]chromen-2-one

Systemtic Name: 8-[(R)-(2-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4-methyl-7-oxidanyl-benzo[h]chromen-2-one Openeye Name: 7-hydroxy-8-[(R)-(2-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4-methyl-benzo[h]chromen-2-one CAS Name: 7-hydroxy-8-[(R)-(2-methoxyphenyl)-(1-piperidin-1-iumyl)methyl]-4-methyl-2-benzo[h][1]benzopyranone IUPAC Name: 7-hydroxy-8-[(R)-(2-methoxyphenyl)-piperidin-1-ium-1-ylmethyl]-4-methylbenzo[h]chromen-2-one Traditional Name: 7-hydroxy-8-[(R)-(2-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4-methyl-benzo[h]chromen-2-one Formula: C27H28NO4+ MolecularWeight: 430.51552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC3=C2C=CC(=C3O)C(C4=CC=CC=C4OC)[NH+]5CCCCC5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C=CC(=C3O)[C@H](C4=CC=CC=C4OC)[NH+]5CCCCC5

InChI

InChI=1S/C27H27NO4/c1-17-16-24(29)32-27-18(17)10-11-19-20(27)12-13-22(26(19)30)25(28-14-6-3-7-15-28)21-8-4-5-9-23(21)31-2/h4-5,8-13,16,25,30H,3,6-7,14-15H2,1-2H3/p+1/t25-/m0/s1