(2S)-N,N-bis(cyanomethyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N,N-bis(cyanomethyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N,N-bis(cyanomethyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N,N-bis(cyanomethyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N,N-bis(cyanomethyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N,N-bis(cyanomethyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C11H18N5O+ MolecularWeight: 236.29352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5O/c1-10(15-8-4-14-5-9-15)11(17)16(6-2-12)7-3-13/h10,14H,4-9H2,1H3/p+1/t10-/m0/s1