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

Systemtic Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C21H32N4O3/c1-28-19-8-4-3-7-17(19)16-25-14-10-23-21(27)18(25)15-20(26)22-9-13-24-11-5-2-6-12-24/h3-4,7-8,18H,2,5-6,9-16H2,1H3,(H,22,26)(H,23,27)/p+2/t18-/m1/s1