2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-phenylthiazol-5-yl)methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-phenyl-5-thiazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-phenylthiazol-5-yl)methyl]-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C21H26N3OS2+ MolecularWeight: 400.58064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3OS2/c25-10-6-19-14-23(8-9-24(19)13-17-7-11-26-16-17)15-20-12-22-21(27-20)18-4-2-1-3-5-18/h1-5,7,11-12,16,19,25H,6,8-10,13-15H2/p+1/t19-/m0/s1