(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-tert-butyl-propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-tert-butyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-tert-butyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-tert-butylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-tert-butylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-tert-butyl-propionamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H28N4OS/c1-14(18(24)21-19(2,3)4)23-11-9-22(10-12-23)13-17-20-15-7-5-6-8-16(15)25-17/h5-8,14H,9-13H2,1-4H3,(H,21,24)/p+1/t14-/m1/s1