8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-phenyl-benzo[h]chromen-2-one

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-phenyl-benzo[h]chromen-2-one Openeye Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-phenyl-benzo[h]chromen-2-one CAS Name: 8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-4-phenyl-2-benzo[h][1]benzopyranone IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-phenylbenzo[h]chromen-2-one Traditional Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-phenyl-benzo[h]chromen-2-one Formula: C27H28NO3+ MolecularWeight: 414.51612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C3=C(C=C2)C4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(C3=C(C=C2)C4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H27NO3/c1-2-20-10-6-7-15-28(20)17-19-11-12-22-21(26(19)30)13-14-23-24(16-25(29)31-27(22)23)18-8-4-3-5-9-18/h3-5,8-9,11-14,16,20,30H,2,6-7,10,15,17H2,1H3/p+1/t20-/m0/s1