2-[(2S)-4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-chlorophenyl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-chlorobenzyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C18H24ClN2OS+ MolecularWeight: 351.91396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CC=C2Cl)CCO)CC3=CC=CS3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CC=C2Cl)CCO)CC3=CC=CS3

InChI

InChI=1S/C18H23ClN2OS/c19-18-6-2-1-4-15(18)12-20-8-9-21(16(13-20)7-10-22)14-17-5-3-11-23-17/h1-6,11,16,22H,7-10,12-14H2/p+1/t16-/m0/s1