ethyl 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

InChI

InChI=1S/C21H30N4O5/c1-3-30-21(28)24-12-10-23(11-13-24)19(26)14-17-20(27)22-8-9-25(17)15-16-6-4-5-7-18(16)29-2/h4-7,17H,3,8-15H2,1-2H3,(H,22,27)/p+1/t17-/m1/s1