5-nitro-1-[2-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]ethyl]-3-phenylmethoxy-indazole

Systemtic Name: 5-nitro-1-[2-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]ethyl]-3-phenylmethoxy-indazole Openeye Name: 3-benzyloxy-5-nitro-1-[2-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]ethyl]indazole CAS Name: 5-nitro-1-[2-[2-(1-oxido-1-piperidin-1-iumyl)ethoxy]ethyl]-3-phenylmethoxyindazole IUPAC Name: 5-nitro-1-[2-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]ethyl]-3-phenylmethoxyindazole Traditional Name: 3-benzoxy-5-nitro-1-[2-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]ethyl]indazole Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCOCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CCOCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H28N4O5/c28-26(29)20-9-10-22-21(17-20)23(32-18-19-7-3-1-4-8-19)24-25(22)11-15-31-16-14-27(30)12-5-2-6-13-27/h1,3-4,7-10,17H,2,5-6,11-16,18H2