ethyl 4-[(3S)-1-(1-methylcyclopropyl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(1-methylcyclopropyl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1-methylcyclopropanecarbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(1-methylcyclopropyl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(1-methylcyclopropanecarbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H30N3O3+ MolecularWeight: 324.4384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3(CC3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3(CC3)C

InChI

InChI=1S/C17H29N3O3/c1-3-23-16(22)19-11-9-18(10-12-19)14-5-4-8-20(13-14)15(21)17(2)6-7-17/h14H,3-13H2,1-2H3/p+1/t14-/m0/s1