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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-(3-pyridinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C17H30N3O+ MolecularWeight: 292.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=CN=CC=C2

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=CN=CC=C2

InChI

InChI=1S/C17H29N3O/c1-15(2)5-8-20-10-9-19(14-17(20)6-11-21)13-16-4-3-7-18-12-16/h3-4,7,12,15,17,21H,5-6,8-11,13-14H2,1-2H3/p+1/t17-/m0/s1