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

Systemtic Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC=CC(C)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)C/C=C/C(C)C

InChI

InChI=1S/C19H31N3O/c1-16(2)6-5-10-21-11-12-22(19(15-21)9-13-23)14-18-8-4-7-17(3)20-18/h4-8,16,19,23H,9-15H2,1-3H3/p+1/b6-5+/t19-/m0/s1