N-[(5-ethylpyridin-2-yl)methyl]-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-[(5-ethylpyridin-2-yl)methyl]-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-[(5-ethyl-2-pyridyl)methyl]-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-[(5-ethyl-2-pyridinyl)methyl]-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(5-ethylpyridin-2-yl)methyl]-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-[(5-ethyl-2-pyridyl)methyl]-2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CN=C(C=C1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H30N4O3/c1-4-17-8-9-19(25-14-17)16-26(2)22(28)13-21-23(29)24-10-11-27(21)15-18-6-5-7-20(12-18)30-3/h5-9,12,14,21H,4,10-11,13,15-16H2,1-3H3,(H,24,29)/p+1/t21-/m1/s1