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

Systemtic Name: 2-[(2S)-1-phenethyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-phenethyl-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-[(2-phenyl-5-thiazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-phenethyl-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3OS/c28-16-12-22-18-26(14-15-27(22)13-11-20-7-3-1-4-8-20)19-23-17-25-24(29-23)21-9-5-2-6-10-21/h1-10,17,22,28H,11-16,18-19H2/p+1/t22-/m0/s1