1-hexyl-4-oxidanylidene-1-(phenylmethyl)piperazine-1,4-diium-2-one; thiourea

Systemtic Name: 1-hexyl-4-oxidanylidene-1-(phenylmethyl)piperazine-1,4-diium-2-one; thiourea Openeye Name: 1-benzyl-1-hexyl-4-oxo-piperazine-1,4-diium-2-one; thiourea CAS Name: 1-hexyl-4-oxo-1-(phenylmethyl)-2-piperazine-1,4-diiumone; thiourea IUPAC Name: 1-benzyl-1-hexyl-4-oxopiperazine-1,4-diium-2-one; thiourea Traditional Name: 1-benzyl-1-hexyl-4-keto-piperazine-1,4-diium-2-one; thiourea Formula: C18H30N4O2S+2 MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2.CH4N2S/c1-2-3-4-8-12-19(13-11-18(21)14-17(19)20)15-16-9-6-5-7-10-16;2-1(3)4/h5-7,9-10H,2-4,8,11-15H2,1H3;(H4,2,3,4)/q+2;