N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]butanamide

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]butanamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]butanamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]butanamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]butanamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]butyramide Formula: C18H26ClN4OS+ MolecularWeight: 381.94324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC(=C3C)Cl

Isomeric SMILES

CCCC(=O)NCC[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC(=C3C)Cl

InChI

InChI=1S/C18H25ClN4OS/c1-3-4-16(24)20-7-8-22-9-11-23(12-10-22)18-21-17-13(2)14(19)5-6-15(17)25-18/h5-6H,3-4,7-12H2,1-2H3,(H,20,24)/p+1