3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 3-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C23H34N4O2/c1-23(2,3)17-26-13-8-20(9-14-26)29-21-7-4-6-19(16-21)22(28)25-10-5-12-27-15-11-24-18-27/h4,6-7,11,15-16,18,20H,5,8-10,12-14,17H2,1-3H3,(H,25,28)/p+1