N-[(1-methylimidazol-2-yl)methyl]-2-[(2S)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-propan-2-yl-ethanamide

Systemtic Name: N-[(1-methylimidazol-2-yl)methyl]-2-[(2S)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(2S)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-methyl-2-imidazolyl)methyl]-2-[(2S)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[(2S)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC=CN1C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

CC(C)N(CC1=NC=CN1C)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C20H28N6O2/c1-15(2)26(14-18-22-8-10-24(18)3)19(27)12-17-20(28)23-9-11-25(17)13-16-6-4-5-7-21-16/h4-8,10,15,17H,9,11-14H2,1-3H3,(H,23,28)/p+1/t17-/m0/s1