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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4S/c1-2-19-7-9-20(10-8-19)12-13-3-4-14-15(11-13)21-16(18-14)5-6-17/h3-4,11H,2,5-10,12,17H2,1H3/p+2