3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propyl-tert-butyl-azanium

Systemtic Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propyl-tert-butyl-azanium Openeye Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propyl-tert-butyl-ammonium CAS Name: 3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propyl-tert-butylazanium Traditional Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propyl-tert-butyl-ammonium Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H25N3OS/c1-17(2,3)19-12-6-11-18-15(21)9-10-16-20-13-7-4-5-8-14(13)22-16/h4-5,7-8,19H,6,9-12H2,1-3H3,(H,18,21)/p+1