2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c24-19(21-10-4-8-16-6-2-1-3-7-16)14-18-20(25)22-11-12-23(18)15-17-9-5-13-26-17/h1-3,5-7,9,13,18H,4,8,10-12,14-15H2,(H,21,24)(H,22,25)/p+1/t18-/m1/s1