ethyl 4-[(3S)-1-quinoxalin-6-ylcarbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-quinoxalin-6-ylcarbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(quinoxaline-6-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[oxo(6-quinoxalinyl)methyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(quinoxaline-6-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H27N5O3/c1-2-29-21(28)25-12-10-24(11-13-25)17-4-3-9-26(15-17)20(27)16-5-6-18-19(14-16)23-8-7-22-18/h5-8,14,17H,2-4,9-13,15H2,1H3/p+1/t17-/m0/s1