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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4S/c1-2-18-5-7-19(8-6-18)11-12-3-4-13-14(9-12)20-15(10-16)17-13/h3-4,9H,2,5-8,10-11,16H2,1H3/p+2