N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-1,3-benzothiazol-2-amine

Systemtic Name: N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-1,3-benzothiazol-2-amine Openeye Name: N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-1,3-benzothiazol-2-amine CAS Name: N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-1,3-benzothiazol-2-amine IUPAC Name: N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-(3-phenethyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)amine Formula: C18H20N5S+ MolecularWeight: 338.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=NC[NH+]1CCC2=CC=CC=C2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1NC(=NC[NH+]1CCC2=CC=CC=C2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N5S/c1-2-6-14(7-3-1)10-11-23-12-19-17(20-13-23)22-18-21-15-8-4-5-9-16(15)24-18/h1-9H,10-13H2,(H2,19,20,21,22)/p+1