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

Systemtic Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C22H36N4O3+2 MolecularWeight: 404.54624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-3-10-25-11-7-18(8-12-25)24-21(27)15-20-22(28)23-9-13-26(20)16-17-5-4-6-19(14-17)29-2/h4-6,14,18,20H,3,7-13,15-16H2,1-2H3,(H,23,28)(H,24,27)/p+2/t20-/m1/s1