2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-2-thienyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-2-thiophenyl)methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-2-thienyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)CN2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N2OS/c1-17-7-8-20(24-17)16-21-12-13-22(19(15-21)10-14-23)11-9-18-5-3-2-4-6-18/h2-8,19,23H,9-16H2,1H3/p+1/t19-/m0/s1