1-hexyl-1-[[4-(imidazolidin-2-ylamino)phenyl]methyl]-4-oxidanylidene-piperazine-1,4-diium-2-one

Systemtic Name: 1-hexyl-1-[[4-(imidazolidin-2-ylamino)phenyl]methyl]-4-oxidanylidene-piperazine-1,4-diium-2-one Openeye Name: 1-hexyl-1-[[4-(imidazolidin-2-ylamino)phenyl]methyl]-4-oxo-piperazine-1,4-diium-2-one CAS Name: 1-hexyl-1-[[4-(2-imidazolidinylamino)phenyl]methyl]-4-oxo-2-piperazine-1,4-diiumone IUPAC Name: 1-hexyl-1-[[4-(imidazolidin-2-ylamino)phenyl]methyl]-4-oxopiperazine-1,4-diium-2-one Traditional Name: 1-hexyl-1-[4-(imidazolidin-2-ylamino)benzyl]-4-keto-piperazine-1,4-diium-2-one Formula: C20H33N5O2+2 MolecularWeight: 375.50832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)NC3NCCN3

Isomeric SMILES

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)NC3NCCN3

InChI

InChI=1S/C20H33N5O2/c1-2-3-4-5-13-25(14-12-24(27)15-19(25)26)16-17-6-8-18(9-7-17)23-20-21-10-11-22-20/h6-9,20-23H,2-5,10-16H2,1H3/q+2