3-[[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 3-[[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 3-[[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]methyl]-N'-hydroxy-benzamidine CAS Name: 3-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]methyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 3-[[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 3-[[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)piperidino]methyl]-N'-hydroxy-benzamidine Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CCCC(N2CC3=CC=CC(=C3)C(=NO)N)C4=C(C=CC=N4)C

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CCC[C@H](N2CC3=CC=CC(=C3)/C(=N/O)/N)C4=C(C=CC=N4)C

InChI

InChI=1S/C25H29N5O/c1-17-7-5-13-27-23(17)21-11-4-12-22(24-18(2)8-6-14-28-24)30(21)16-19-9-3-10-20(15-19)25(26)29-31/h3,5-10,13-15,21-22,31H,4,11-12,16H2,1-2H3,(H2,26,29)/t21-,22+