N'-(1,3-benzothiazol-2-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-(1,3-benzothiazol-2-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-(1,3-benzothiazol-2-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(1,3-benzothiazol-2-yl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-(1,3-benzothiazol-2-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: 1,3-benzothiazol-2-yl-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C14H15N4S+ MolecularWeight: 271.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCNC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCNC3=CC=CC=[NH+]3

InChI

InChI=1S/C14H14N4S/c1-2-6-12-11(5-1)18-14(19-12)17-10-9-16-13-7-3-4-8-15-13/h1-8H,9-10H2,(H,15,16)(H,17,18)/p+1