2-[(2S)-1-(3-methylbut-2-enyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](C(C2)CCO)CC=C(C)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+]([C@H](C2)CCO)CC=C(C)C

InChI

InChI=1S/C18H29N3O/c1-15(2)7-9-21-11-10-20(14-18(21)8-12-22)13-17-6-4-5-16(3)19-17/h4-7,18,22H,8-14H2,1-3H3/p+1/t18-/m0/s1