2-[1-[2-(2-nitrophenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[2-(2-nitrophenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2-(2-nitrophenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[2-(2-nitrophenoxy)ethyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[2-(2-nitrophenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-(2-nitrophenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCOC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCOC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c24-23(25)17-6-2-3-7-18(17)26-14-13-22-11-9-15(10-12-22)20-21-16-5-1-4-8-19(16)27-20/h1-8,15H,9-14H2/p+1