ethyl 4-[(3S)-1-(2-imidazol-1-ylethanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(2-imidazol-1-ylethanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(2-imidazol-1-ylacetyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[2-(1-imidazolyl)-1-oxoethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(2-imidazol-1-ylacetyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(2-imidazol-1-ylacetyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CN3C=CN=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CN3C=CN=C3

InChI

InChI=1S/C17H27N5O3/c1-2-25-17(24)21-10-8-20(9-11-21)15-4-3-6-22(12-15)16(23)13-19-7-5-18-14-19/h5,7,14-15H,2-4,6,8-13H2,1H3/p+1/t15-/m0/s1