1-[6-oxidanylidene-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]hexyl]urea

Systemtic Name: 1-[6-oxidanylidene-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]hexyl]urea Openeye Name: [6-oxo-6-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]hexyl]urea CAS Name: [6-oxo-6-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]hexyl]urea IUPAC Name: [6-oxo-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]hexyl]urea Traditional Name: [6-keto-6-[4-(3-thenyl)piperazin-4-ium-1-yl]hexyl]urea Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCCCCNC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C16H26N4O2S/c17-16(22)18-6-3-1-2-4-15(21)20-9-7-19(8-10-20)12-14-5-11-23-13-14/h5,11,13H,1-4,6-10,12H2,(H3,17,18,22)/p+1