4-(1,3-benzothiazol-2-yl)-4-pentyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-4-pentyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-4-pentyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzothiazol-2-yl)-4-pentyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-4-pentylpiperazin-4-ium-1-carboxamide Traditional Name: 4-amyl-4-(1,3-benzothiazol-2-yl)piperazin-4-ium-1-carboxamide Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CCN(CC1)C(=O)N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC[N+]1(CCN(CC1)C(=O)N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H24N4OS/c1-2-3-6-11-21(12-9-20(10-13-21)16(18)22)17-19-14-7-4-5-8-15(14)23-17/h4-5,7-8H,2-3,6,9-13H2,1H3,(H-,18,22)/p+1