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

Systemtic Name: 2-[(2S)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(E)-2-methyl-3-phenyl-allyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(E)-2-methyl-3-phenyl-allyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C23H31N3O/c1-19(15-21-8-4-3-5-9-21)16-25-12-13-26(23(18-25)11-14-27)17-22-10-6-7-20(2)24-22/h3-10,15,23,27H,11-14,16-18H2,1-2H3/p+1/b19-15+/t23-/m0/s1