2-[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-19(2,3)21-17(24)13-22-9-6-10-23(12-11-22)14-18-20-15-7-4-5-8-16(15)25-18/h4-5,7-8H,6,9-14H2,1-3H3,(H,21,24)/p+1