1-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethyl]piperidin-1-ium

Systemtic Name: 1-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethyl]piperidin-1-ium Openeye Name: 1-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethyl]piperidin-1-ium CAS Name: 1-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethyl]piperidin-1-ium IUPAC Name: 1-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidin-1-ium Traditional Name: 1-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethyl]piperidin-1-ium Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S/c21-20(22)16-14-15(26(23,24)19-10-4-5-11-19)6-7-17(16)25-13-12-18-8-2-1-3-9-18/h6-7,14H,1-5,8-13H2/p+1