N-(3-methoxypropyl)-2-[(2S)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[(2S)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2S)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide CAS Name: N-(3-methoxypropyl)-2-[(2S)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2S)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[(2S)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=C2

Isomeric SMILES

COCCCNC(=O)C[C@H]1C(=O)NCC[NH+]1CC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3/c1-23-11-5-8-18-16(21)12-15-17(22)19-9-10-20(15)13-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,18,21)(H,19,22)/p+1/t15-/m0/s1