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

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acetamide Formula: C26H36N4O3+2 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O3/c1-28-14-11-21(12-15-28)29(2)25(31)18-24-26(32)27-13-16-30(24)19-20-7-6-10-23(17-20)33-22-8-4-3-5-9-22/h3-10,17,21,24H,11-16,18-19H2,1-2H3,(H,27,32)/p+2/t24-/m1/s1