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

Systemtic Name: N-methyl-N-[2-(oxan-4-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-(2-tetrahydropyran-4-ylethyl)acetamide CAS Name: N-methyl-N-[2-(4-oxanyl)ethyl]-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[2-(oxan-4-yl)ethyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-methyl-N-(2-tetrahydropyran-4-ylethyl)acetamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

CN(CCC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C20H30N4O3/c1-23(10-5-16-6-12-27-13-7-16)19(25)14-18-20(26)22-9-11-24(18)15-17-4-2-3-8-21-17/h2-4,8,16,18H,5-7,9-15H2,1H3,(H,22,26)/p+1/t18-/m1/s1