ethyl 1-(1H-imidazol-2-ylcarbonyl)-4-phenethyl-piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-imidazol-2-ylcarbonyl)-4-phenethyl-piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-imidazole-2-carbonyl)-4-phenethyl-piperidin-1-ium-1-carboxylate CAS Name: 1-[1H-imidazol-2-yl(oxo)methyl]-4-phenethyl-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-imidazole-2-carbonyl)-4-phenethylpiperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-imidazole-2-carbonyl)-4-phenethyl-piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)CCC2=CC=CC=C2)C(=O)C3=NC=CN3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)CCC2=CC=CC=C2)C(=O)C3=NC=CN3

InChI

InChI=1S/C20H25N3O3/c1-2-26-20(25)23(19(24)18-21-12-13-22-18)14-10-17(11-15-23)9-8-16-6-4-3-5-7-16/h3-7,12-13,17H,2,8-11,14-15H2,1H3/p+1