methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate CAS Name: (2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate Traditional Name: (2R)-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylic acid methyl ester Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)OC)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C21H30N4O4/c1-23(2)17-6-4-15(5-7-17)19(26)24-12-13-25(18(14-24)21(28)29-3)20(27)16-8-10-22-11-9-16/h4-7,16,18,22H,8-14H2,1-3H3/p+1/t18-/m1/s1