3-[3-(phenylmethyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]propylazanium

Systemtic Name: 3-[3-(phenylmethyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]propylazanium Openeye Name: 3-(3-benzyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)propylammonium CAS Name: 3-[3-(phenylmethyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]propylammonium IUPAC Name: 3-(3-benzyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)propylazanium Traditional Name: 3-(3-benzyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)propylammonium Formula: C19H21N3S+2 MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3[N+](=C(N2)CCC[NH3+])C4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3[N+](=C(N2)CCC[NH3+])C4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3S/c20-12-6-11-18-21-15(13-14-7-2-1-3-8-14)19-22(18)16-9-4-5-10-17(16)23-19/h1-5,7-10H,6,11-13,20H2/p+2