1-ethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine-1,4-diium Formula: C17H29N3O3+2 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H27N3O3/c1-3-18-9-11-19(12-10-18)8-4-5-13-23-16-6-7-17(20(21)22)15(2)14-16/h6-7,14H,3-5,8-13H2,1-2H3/p+2