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

Systemtic Name: ethyl 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(cyclopropylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H34N3O2+ MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)(CC3CC3)C(=O)OCC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)(CC3CC3)C(=O)OCC

InChI

InChI=1S/C20H33N3O2/c1-3-5-6-18-21-14-17(22-18)15-23-11-9-20(10-12-23,13-16-7-8-16)19(24)25-4-2/h14,16H,3-13,15H2,1-2H3,(H,21,22)/p+1