N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3-tert-butylisoxazol-5-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3-tert-butylisoxazol-5-yl)acetamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-21(2,3)18-14-20(26-23-18)22-19(25)15-24-11-9-17(10-12-24)13-16-7-5-4-6-8-16/h4-8,14,17H,9-13,15H2,1-3H3,(H,22,25)/p+1