(2S)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]morpholine

Systemtic Name: (2S)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]morpholine Openeye Name: (2S)-2-isohexyl-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]morpholine CAS Name: (2S)-2-(4-methylpentyl)-4-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]morpholine IUPAC Name: (2S)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]morpholine Traditional Name: (2S)-2-isohexyl-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]morpholine Formula: C21H36N3O+ MolecularWeight: 346.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1CN(CCO1)C2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)CCC[C@H]1CN(CCO1)C2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C21H35N3O/c1-18(2)6-5-8-21-17-24(14-15-25-21)20-9-12-23(13-10-20)16-19-7-3-4-11-22-19/h3-4,7,11,18,20-21H,5-6,8-10,12-17H2,1-2H3/p+1/t21-/m0/s1