2-[4-(3-thiophen-3-ylpropyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(3-thiophen-3-ylpropyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[3-(3-thienyl)propyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[3-(3-thiophenyl)propyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-(3-thiophen-3-ylpropyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[3-(3-thienyl)propyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Formula: C19H24N3S2+ MolecularWeight: 358.54396

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CCCC4=CSC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CCCC4=CSC=C4

InChI

InChI=1S/C19H23N3S2/c1-2-7-18-17(6-1)20-19(24-18)22-11-4-10-21(12-13-22)9-3-5-16-8-14-23-15-16/h1-2,6-8,14-15H,3-5,9-13H2/p+1