2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C23H36N4O3/c1-4-10-26-11-7-19(8-12-26)25-22(28)15-20-23(29)24-9-13-27(20)16-18-5-6-21(30-3)17(2)14-18/h5-6,14,19-20H,4,7-13,15-16H2,1-3H3,(H,24,29)(H,25,28)/p+2/t20-/m1/s1