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

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(2-phenyl-5-thiazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C25H32N3OS+ MolecularWeight: 422.60608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3OS/c29-17-13-23-19-27(15-16-28(23)14-7-10-21-8-3-1-4-9-21)20-24-18-26-25(30-24)22-11-5-2-6-12-22/h1-6,8-9,11-12,18,23,29H,7,10,13-17,19-20H2/p+1/t23-/m0/s1