ethyl 4-[(3R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H36N5O2+ MolecularWeight: 378.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CCCC(C2)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CCC[C@H](C2)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H35N5O2/c1-3-5-8-19-21-14-17(22-19)15-23-9-6-7-18(16-23)24-10-12-25(13-11-24)20(26)27-4-2/h14,18H,3-13,15-16H2,1-2H3,(H,21,22)/p+1/t18-/m1/s1