(2S)-N-(2-cyanoethyl)-N-methyl-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-cyanoethyl)-N-methyl-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-cyanoethyl)-N-methyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2-cyanoethyl)-N-methyl-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-cyanoethyl)-N-methyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-cyanoethyl)-N-methyl-2-piperazin-4-ium-1-yl-propionamide Formula: C11H21N4O+ MolecularWeight: 225.31064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)N1CC[NH2+]CC1

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)N1CC[NH2+]CC1

InChI

InChI=1S/C11H20N4O/c1-10(15-8-5-13-6-9-15)11(16)14(2)7-3-4-12/h10,13H,3,5-9H2,1-2H3/p+1/t10-/m0/s1