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

Systemtic Name: N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: N-methyl-N-(4-oxanylmethyl)-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

CN(CC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C19H28N4O3/c1-22(13-15-4-9-26-10-5-15)18(24)11-17-19(25)21-7-8-23(17)14-16-3-2-6-20-12-16/h2-3,6,12,15,17H,4-5,7-11,13-14H2,1H3,(H,21,25)/p+1/t17-/m1/s1