ethyl 1-(1H-imidazol-5-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1H-imidazol-5-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=CN2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c1-2-24-18(23)19(12-16-6-4-3-5-7-16)8-10-22(11-9-19)14-17-13-20-15-21-17/h3-7,13,15H,2,8-12,14H2,1H3,(H,20,21)/p+1