(2S)-N-butyl-N-ethyl-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-butyl-N-ethyl-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-butyl-N-ethyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-butyl-N-ethyl-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-butyl-N-ethyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-butyl-N-ethyl-2-piperazin-4-ium-1-yl-propionamide Formula: C13H28N3O+ MolecularWeight: 242.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C(C)N1CC[NH2+]CC1

Isomeric SMILES

CCCCN(CC)C(=O)[C@H](C)N1CC[NH2+]CC1

InChI

InChI=1S/C13H27N3O/c1-4-6-9-15(5-2)13(17)12(3)16-10-7-14-8-11-16/h12,14H,4-11H2,1-3H3/p+1/t12-/m0/s1