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

Systemtic Name: 2-[(2S)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-2-yl]ethanol Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O/c1-20(16-21-8-4-2-5-9-21)17-24-13-14-25(23(19-24)12-15-26)18-22-10-6-3-7-11-22/h2-11,16,23,26H,12-15,17-19H2,1H3/p+1/b20-16+/t23-/m0/s1