(2S)-N-ethyl-N-(phenylmethyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-ethyl-N-(phenylmethyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-benzyl-N-ethyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-ethyl-N-(phenylmethyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-benzyl-N-ethyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-benzyl-N-ethyl-2-piperazin-4-ium-1-yl-propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O/c1-3-18(13-15-7-5-4-6-8-15)16(20)14(2)19-11-9-17-10-12-19/h4-8,14,17H,3,9-13H2,1-2H3/p+1/t14-/m0/s1