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

Systemtic Name: 2-[1-[3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[3-(3-nitrophenoxy)propyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCCOC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCCOC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c25-24(26)17-5-3-6-18(15-17)27-14-4-11-23-12-9-16(10-13-23)21-22-19-7-1-2-8-20(19)28-21/h1-3,5-8,15-16H,4,9-14H2/p+1