(2S)-5,6-dimethoxy-2-[[1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one

Systemtic Name: (2S)-5,6-dimethoxy-2-[[1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one Openeye Name: (2S)-2-[(1-benzyl-1-oxido-piperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-indan-1-one CAS Name: (2S)-5,6-dimethoxy-2-[[1-oxido-1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-2,3-dihydroinden-1-one IUPAC Name: (2S)-2-[(1-benzyl-1-oxidopiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: (2S)-2-[(1-benzyl-1-oxido-piperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-indan-1-one Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CC3CC[N+](CC3)(CC4=CC=CC=C4)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C[C@@H](C2=O)CC3CC[N+](CC3)(CC4=CC=CC=C4)[O-])OC

InChI

InChI=1S/C24H29NO4/c1-28-22-14-19-13-20(24(26)21(19)15-23(22)29-2)12-17-8-10-25(27,11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t17?,20-,25?/m0/s1