2-azido-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one hydrochloride

Systemtic Name: 2-azido-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one hydrochloride Openeye Name: 2-azido-2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one hydrochloride CAS Name: 2-azido-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-inden-1-one hydrochloride IUPAC Name: 2-azido-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-3H-inden-1-one hydrochloride Traditional Name: 2-azido-2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one hydrochloride Formula: C24H29ClN4O3 MolecularWeight: 456.96506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)N=[N+]=[N-])OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)N=[N+]=[N-])OC.Cl

InChI

InChI=1S/C24H28N4O3.ClH/c1-30-21-12-19-15-24(26-27-25,23(29)20(19)13-22(21)31-2)14-17-8-10-28(11-9-17)16-18-6-4-3-5-7-18;/h3-7,12-13,17H,8-11,14-16H2,1-2H3;1H