(2S)-N-(phenylmethyl)-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(phenylmethyl)-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-benzyl-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(phenylmethyl)-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-benzyl-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-benzyl-2-piperazin-1-ium-1-yl-propionamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCNCC2

InChI

InChI=1S/C14H21N3O/c1-12(17-9-7-15-8-10-17)14(18)16-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,16,18)/p+1/t12-/m0/s1