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

Systemtic Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylazanium Openeye Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylammonium CAS Name: 3-[6-(4-ethyl-1-piperazin-4-iumyl)-1,3-benzothiazol-2-yl]propylammonium IUPAC Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylazanium Traditional Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]propylammonium Formula: C16H26N4S+2 MolecularWeight: 306.46944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4S/c1-2-19-8-10-20(11-9-19)13-5-6-14-15(12-13)21-16(18-14)4-3-7-17/h5-6,12H,2-4,7-11,17H2,1H3/p+2