carbamimidoyl-[1-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-cyano-ethyl-azanium

Systemtic Name: carbamimidoyl-[1-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-cyano-ethyl-azanium Openeye Name: carbamimidoyl-[1-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-cyano-ethyl-ammonium CAS Name: carbamimidoyl-[1-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethyl]-cyano-ethylammonium IUPAC Name: carbamimidoyl-[1-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-cyano-ethylazanium Traditional Name: amidino-[1-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethyl]-cyano-ethyl-ammonium Formula: C13H15ClN5S2+ MolecularWeight: 340.8747

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C#N)(C(C)SC1=NC2=C(S1)C=CC(=C2)Cl)C(=N)N

Isomeric SMILES

CC[N+](C#N)(C(C)SC1=NC2=C(S1)C=CC(=C2)Cl)C(=N)N

InChI

InChI=1S/C13H15ClN5S2/c1-3-19(7-15,12(16)17)8(2)20-13-18-10-6-9(14)4-5-11(10)21-13/h4-6,8H,3H2,1-2H3,(H3,16,17)/q+1