1-hexyl-4-oxidanylidene-1-[[4-(1,3-thiazol-2-ylamino)phenyl]methyl]piperazine-1,4-diium-2-one

Systemtic Name: 1-hexyl-4-oxidanylidene-1-[[4-(1,3-thiazol-2-ylamino)phenyl]methyl]piperazine-1,4-diium-2-one Openeye Name: 1-hexyl-4-oxo-1-[[4-(thiazol-2-ylamino)phenyl]methyl]piperazine-1,4-diium-2-one CAS Name: 1-hexyl-4-oxo-1-[[4-(2-thiazolylamino)phenyl]methyl]-2-piperazine-1,4-diiumone IUPAC Name: 1-hexyl-4-oxo-1-[[4-(1,3-thiazol-2-ylamino)phenyl]methyl]piperazine-1,4-diium-2-one Traditional Name: 1-hexyl-4-keto-1-[4-(thiazol-2-ylamino)benzyl]piperazine-1,4-diium-2-one Formula: C20H28N4O2S+2 MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)NC3=NC=CS3

Isomeric SMILES

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)NC3=NC=CS3

InChI

InChI=1S/C20H28N4O2S/c1-2-3-4-5-12-24(13-11-23(26)15-19(24)25)16-17-6-8-18(9-7-17)22-20-21-10-14-27-20/h6-10,14H,2-5,11-13,15-16H2,1H3,(H,21,22)/q+2