ethyl 4-[(3S)-1-(2,6-dimethylpyrimidin-4-yl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(2,6-dimethylpyrimidin-4-yl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N5O3+ MolecularWeight: 376.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC(=NC(=N3)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC(=NC(=N3)C)C

InChI

InChI=1S/C19H29N5O3/c1-4-27-19(26)23-10-8-22(9-11-23)16-6-5-7-24(13-16)18(25)17-12-14(2)20-15(3)21-17/h12,16H,4-11,13H2,1-3H3/p+1/t16-/m0/s1