N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide Openeye Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(3-methyl-4-pyridyl)methyl]acetamide CAS Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-2-piperazin-1-iumyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-4-pyridyl)methyl]acetamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2/c1-14(2)6-9-23-10-8-21-19(25)17(23)11-18(24)22(4)13-16-5-7-20-12-15(16)3/h5-7,12,17H,8-11,13H2,1-4H3,(H,21,25)/p+1/t17-/m1/s1