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

Systemtic Name: N-cyclohexyl-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-prop-2-ynyl-ethanamide Openeye Name: N-cyclohexyl-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-prop-2-ynyl-acetamide CAS Name: N-cyclohexyl-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: N-cyclohexyl-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-prop-2-ynylacetamide Traditional Name: N-cyclohexyl-2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-propargyl-acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C1CCCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

C#CCN(C1CCCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-2-12-25(18-8-4-3-5-9-18)20(26)14-19-21(27)23-11-13-24(19)16-17-7-6-10-22-15-17/h1,6-7,10,15,18-19H,3-5,8-9,11-14,16H2,(H,23,27)/p+1/t19-/m1/s1