(2S)-N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(1S)-1-phenylethyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c1-12(14-6-4-3-5-7-14)17-15(19)13(2)18-10-8-16-9-11-18/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,19)/p+1/t12-,13-/m0/s1