2-[(2S)-1-phenethyl-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-phenethyl-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-[(2-prop-2-enoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

C=CCOC1=CC=CC=C1CN2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-2-18-28-24-11-7-6-10-22(24)19-25-15-16-26(23(20-25)13-17-27)14-12-21-8-4-3-5-9-21/h2-11,23,27H,1,12-20H2/p+1/t23-/m0/s1