(2S)-2-(1,4-diazepan-4-ium-1-yl)-N,N-diethyl-propanamide

Systemtic Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N,N-diethyl-propanamide Openeye Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N,N-diethyl-propanamide CAS Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N,N-diethylpropanamide IUPAC Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N,N-diethylpropanamide Traditional Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N,N-diethyl-propionamide Formula: C12H26N3O+ MolecularWeight: 228.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)N1CCC[NH2+]CC1

Isomeric SMILES

CCN(CC)C(=O)[C@H](C)N1CCC[NH2+]CC1

InChI

InChI=1S/C12H25N3O/c1-4-14(5-2)12(16)11(3)15-9-6-7-13-8-10-15/h11,13H,4-10H2,1-3H3/p+1/t11-/m0/s1