3-[6-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-yl]propylazanium

Systemtic Name: 3-[6-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-yl]propylazanium Openeye Name: 3-[6-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-yl]propylammonium CAS Name: 3-[6-(1-pyrrolidin-1-iumylmethyl)-1,3-benzothiazol-2-yl]propylammonium IUPAC Name: 3-[6-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-yl]propylazanium Traditional Name: 3-[6-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-yl]propylammonium Formula: C15H23N3S+2 MolecularWeight: 277.42822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

InChI

InChI=1S/C15H21N3S/c16-7-3-4-15-17-13-6-5-12(10-14(13)19-15)11-18-8-1-2-9-18/h5-6,10H,1-4,7-9,11,16H2/p+2