2-[1-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(5-phenyl-2-tetrazolyl)methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C20H21N6S+ MolecularWeight: 377.48594

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4N=C(N=N4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4N=C(N=N4)C5=CC=CC=C5

InChI

InChI=1S/C20H20N6S/c1-2-6-15(7-3-1)19-22-24-26(23-19)14-25-12-10-16(11-13-25)20-21-17-8-4-5-9-18(17)27-20/h1-9,16H,10-14H2/p+1