N-ethyl-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide CAS Name: N-ethyl-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: N-ethyl-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C20H25N5O2/c1-2-24(14-16-5-8-21-9-6-16)19(26)12-18-20(27)23-10-11-25(18)15-17-4-3-7-22-13-17/h3-9,13,18H,2,10-12,14-15H2,1H3,(H,23,27)/p+1/t18-/m1/s1