(2R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-3-(4-ethylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C23H28N2O2S/c1-2-17-7-9-20(10-8-17)27-16-19(26)15-25-13-11-18(12-14-25)23-24-21-5-3-4-6-22(21)28-23/h3-10,18-19,26H,2,11-16H2,1H3/p+1/t19-/m1/s1