2-[6-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-1,3-benzothiazol-2-yl]ethylazanium

Systemtic Name: 2-[6-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-1,3-benzothiazol-2-yl]ethylazanium Openeye Name: 2-[6-(4-isobutylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]ethylammonium CAS Name: 2-[6-[4-(2-methylpropyl)-1-piperazin-4-iumyl]-1,3-benzothiazol-2-yl]ethylammonium IUPAC Name: 2-[6-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-1,3-benzothiazol-2-yl]ethylazanium Traditional Name: 2-[6-(4-isobutylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]ethylammonium Formula: C17H28N4S+2 MolecularWeight: 320.49602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4S/c1-13(2)12-20-7-9-21(10-8-20)14-3-4-15-16(11-14)22-17(19-15)5-6-18/h3-4,11,13H,5-10,12,18H2,1-2H3/p+2