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

Systemtic Name: 2-[(2S)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-isopropylthiazol-2-yl)methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-propan-2-yl-2-thiazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(4-isopropylthiazol-2-yl)methyl]-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C18H28N3OS2+ MolecularWeight: 366.56442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)CN2CC[NH+](C(C2)CCO)CC3=CSC=C3

Isomeric SMILES

CC(C)C1=CSC(=N1)CN2CC[NH+]([C@H](C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C18H27N3OS2/c1-14(2)17-13-24-18(19-17)11-20-5-6-21(16(10-20)3-7-22)9-15-4-8-23-12-15/h4,8,12-14,16,22H,3,5-7,9-11H2,1-2H3/p+1/t16-/m0/s1