5-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=CC2C(=O)CC(CC2=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N=CC2C(=O)CC(CC2=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2/c28-24-15-21(20-9-5-2-6-10-20)16-25(29)23(24)17-26-22-11-13-27(14-12-22)18-19-7-3-1-4-8-19/h1-10,17,21-23H,11-16,18H2/p+1