4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Systemtic Name: 4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Openeye Name: 3-hydroxy-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one CAS Name: 3-hydroxy-4-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one IUPAC Name: 3-hydroxy-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Traditional Name: 3-hydroxy-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)O

InChI

InChI=1S/C20H25NO3/c1-13-5-4-10-21(11-13)12-17-18(22)9-8-15-14-6-2-3-7-16(14)20(23)24-19(15)17/h8-9,13,22H,2-7,10-12H2,1H3/p+1/t13-/m1/s1