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

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acetamide Formula: C22H36N4O2+2 MolecularWeight: 388.54684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O2/c1-24-14-10-19(11-15-24)25(2)21(27)17-20-22(28)23-12-16-26(20)13-6-9-18-7-4-3-5-8-18/h3-5,7-8,19-20H,6,9-17H2,1-2H3,(H,23,28)/p+2/t20-/m1/s1