2-[6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylazanium

Systemtic Name: 2-[6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylazanium Openeye Name: 2-[6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylammonium CAS Name: 2-[6-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,3-benzothiazol-2-yl]ethylammonium IUPAC Name: 2-[6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylazanium Traditional Name: 2-[6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylammonium Formula: C15H24N4S+2 MolecularWeight: 292.44286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)N=C(S3)CC[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)N=C(S3)CC[NH3+]

InChI

InChI=1S/C15H22N4S/c1-18-6-8-19(9-7-18)11-12-2-3-13-14(10-12)20-15(17-13)4-5-16/h2-3,10H,4-9,11,16H2,1H3/p+2