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

Systemtic Name: 1-hexyl-4-oxidanylidene-1-[[4-(propylamino)phenyl]methyl]piperazine-1,4-diium-2-one Openeye Name: 1-hexyl-4-oxo-1-[[4-(propylamino)phenyl]methyl]piperazine-1,4-diium-2-one CAS Name: 1-hexyl-4-oxo-1-[[4-(propylamino)phenyl]methyl]-2-piperazine-1,4-diiumone IUPAC Name: 1-hexyl-4-oxo-1-[[4-(propylamino)phenyl]methyl]piperazine-1,4-diium-2-one Traditional Name: 1-hexyl-4-keto-1-[4-(propylamino)benzyl]piperazine-1,4-diium-2-one Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-3-5-6-7-14-23(15-13-22(25)16-20(23)24)17-18-8-10-19(11-9-18)21-12-4-2/h8-11,21H,3-7,12-17H2,1-2H3/q+2