3-[6-(4-propylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylazanium

Systemtic Name: 3-[6-(4-propylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylazanium Openeye Name: 3-[6-(4-propylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylammonium CAS Name: 3-[6-(4-propyl-1-piperazin-4-iumyl)-1,3-benzothiazol-2-yl]propylammonium IUPAC Name: 3-[6-(4-propylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylazanium Traditional Name: 3-[6-(4-propylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylammonium Formula: C17H28N4S+2 MolecularWeight: 320.49602

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

InChI

InChI=1S/C17H26N4S/c1-2-8-20-9-11-21(12-10-20)14-5-6-15-16(13-14)22-17(19-15)4-3-7-18/h5-6,13H,2-4,7-12,18H2,1H3/p+2