1-piperidin-1-ium-4-yl-3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium

Systemtic Name: 1-piperidin-1-ium-4-yl-3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium Openeye Name: 3-isopropyl-1-piperidin-1-ium-4-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium CAS Name: 1-(4-piperidin-1-iumyl)-3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium IUPAC Name: 1-piperidin-1-ium-4-yl-3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium Traditional Name: 3-isopropyl-1-piperidin-1-ium-4-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium Formula: C17H23N3S+2 MolecularWeight: 301.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2[N+](=C(N1)C3CC[NH2+]CC3)C4=CC=CC=C4S2

Isomeric SMILES

CC(C)C1=C2[N+](=C(N1)C3CC[NH2+]CC3)C4=CC=CC=C4S2

InChI

InChI=1S/C17H21N3S/c1-11(2)15-17-20(13-5-3-4-6-14(13)21-17)16(19-15)12-7-9-18-10-8-12/h3-6,11-12,18H,7-10H2,1-2H3/p+2