[2-(azaniumylmethyl)-1,3-benzothiazol-6-yl]methyl-diethyl-azanium

Systemtic Name: [2-(azaniumylmethyl)-1,3-benzothiazol-6-yl]methyl-diethyl-azanium Openeye Name: [2-(azaniumylmethyl)-1,3-benzothiazol-6-yl]methyl-diethyl-ammonium CAS Name: [2-(ammoniomethyl)-1,3-benzothiazol-6-yl]methyl-diethylammonium IUPAC Name: [2-(azaniumylmethyl)-1,3-benzothiazol-6-yl]methyl-diethylazanium Traditional Name: [2-(ammoniomethyl)-1,3-benzothiazol-6-yl]methyl-diethyl-ammonium Formula: C13H21N3S+2 MolecularWeight: 251.39094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC2=C(C=C1)N=C(S2)C[NH3+]

Isomeric SMILES

CC[NH+](CC)CC1=CC2=C(C=C1)N=C(S2)C[NH3+]

InChI

InChI=1S/C13H19N3S/c1-3-16(4-2)9-10-5-6-11-12(7-10)17-13(8-14)15-11/h5-7H,3-4,8-9,14H2,1-2H3/p+2