4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl-dimethyl-azanium

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl-dimethyl-azanium Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl-dimethyl-ammonium CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl-dimethylammonium IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl-dimethylazanium Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl-dimethyl-ammonium Formula: C18H30N4S+2 MolecularWeight: 334.5226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CCCC[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H28N4S/c1-20(2)10-5-6-11-21-12-7-13-22(15-14-21)18-19-16-8-3-4-9-17(16)23-18/h3-4,8-9H,5-7,10-15H2,1-2H3/p+2