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

Systemtic Name: (2S)-N-(3-phenylpropyl)-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-phenylpropyl)-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(3-phenylpropyl)-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-phenylpropyl)-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-phenylpropyl)-2-piperazin-1-ium-1-yl-propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC1=CC=CC=C1)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCCCC1=CC=CC=C1)[NH+]2CCNCC2

InChI

InChI=1S/C16H25N3O/c1-14(19-12-10-17-11-13-19)16(20)18-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,18,20)/p+1/t14-/m0/s1