(2Z)-6-methoxy-5-phenylmethoxy-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methylidene]-3H-inden-1-one

Systemtic Name: (2Z)-6-methoxy-5-phenylmethoxy-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methylidene]-3H-inden-1-one Openeye Name: (2Z)-5-benzyloxy-2-[(1-benzylpiperidin-1-ium-4-yl)methylene]-6-methoxy-indan-1-one CAS Name: (2Z)-6-methoxy-5-phenylmethoxy-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methylidene]-3H-inden-1-one IUPAC Name: (2Z)-2-[(1-benzylpiperidin-1-ium-4-yl)methylidene]-6-methoxy-5-phenylmethoxy-3H-inden-1-one Traditional Name: (2Z)-5-benzoxy-2-[(1-benzylpiperidin-1-ium-4-yl)methylene]-6-methoxy-indan-1-one Formula: C30H32NO3+ MolecularWeight: 454.57998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=CC3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)C2=C1)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C/C(=C/C3CC[NH+](CC3)CC4=CC=CC=C4)/C(=O)C2=C1)OCC5=CC=CC=C5

InChI

InChI=1S/C30H31NO3/c1-33-28-19-27-25(18-29(28)34-21-24-10-6-3-7-11-24)17-26(30(27)32)16-22-12-14-31(15-13-22)20-23-8-4-2-5-9-23/h2-11,16,18-19,22H,12-15,17,20-21H2,1H3/p+1/b26-16-