1-[4-ethyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one

Systemtic Name: 1-[4-ethyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one Openeye Name: 1-[4-ethyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one CAS Name: 1-[4-ethyl-4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-1-tetradecanone IUPAC Name: 1-[4-ethyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one Traditional Name: 1-[4-ethyl-4-(3-nitrobenzyl)piperazin-4-ium-1-yl]tetradecan-1-one Formula: C27H46N3O3+ MolecularWeight: 460.67244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C27H46N3O3/c1-3-5-6-7-8-9-10-11-12-13-14-18-27(31)28-19-21-30(4-2,22-20-28)24-25-16-15-17-26(23-25)29(32)33/h15-17,23H,3-14,18-22,24H2,1-2H3/q+1