2-[(2S)-1-(3-methylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-2-yl]ethanol Formula: C22H40N4O+2 MolecularWeight: 376.5792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)C2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)C2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H38N4O/c1-19(2)6-13-25-14-15-26(18-22(25)9-16-27)21-7-11-24(12-8-21)17-20-5-3-4-10-23-20/h3-5,10,19,21-22,27H,6-9,11-18H2,1-2H3/p+2/t22-/m0/s1