ethanoic acid; 1-hexyl-3-(piperazin-2-ylmethyl)urea

Systemtic Name: ethanoic acid; 1-hexyl-3-(piperazin-2-ylmethyl)urea Openeye Name: acetic acid; 1-hexyl-3-(piperazin-2-ylmethyl)urea CAS Name: acetic acid; 1-hexyl-3-(2-piperazinylmethyl)urea IUPAC Name: acetic acid; 1-hexyl-3-(piperazin-2-ylmethyl)urea Traditional Name: acetic acid; 1-hexyl-3-(piperazin-2-ylmethyl)urea Formula: C16H34N4O5 MolecularWeight: 362.46496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NCC1CNCCN1.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCNC(=O)NCC1CNCCN1.CC(=O)O.CC(=O)O

InChI

InChI=1S/C12H26N4O.2C2H4O2/c1-2-3-4-5-6-15-12(17)16-10-11-9-13-7-8-14-11;2*1-2(3)4/h11,13-14H,2-10H2,1H3,(H2,15,16,17);2*1H3,(H,3,4)