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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O2/c26-20(23-11-5-8-17-6-2-1-3-7-17)14-19-21(27)24-12-13-25(19)16-18-9-4-10-22-15-18/h1-4,6-7,9-10,15,19H,5,8,11-14,16H2,(H,23,26)(H,24,27)/p+1/t19-/m1/s1