(2S)-N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[3-(1-imidazolyl)propyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ium-1-yl-propionamide Formula: C13H24N5O+ MolecularWeight: 266.36256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1C=CN=C1)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCCCN1C=CN=C1)[NH+]2CCNCC2

InChI

InChI=1S/C13H23N5O/c1-12(18-9-5-14-6-10-18)13(19)16-3-2-7-17-8-4-15-11-17/h4,8,11-12,14H,2-3,5-7,9-10H2,1H3,(H,16,19)/p+1/t12-/m0/s1