2-(4-tert-butylphenoxy)-N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[1-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-benzimidazolyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]acetamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H36N4O2/c1-19-12-14-31(15-13-19)17-25-29-23-16-21(8-11-24(23)30(25)5)28-26(32)18-33-22-9-6-20(7-10-22)27(2,3)4/h6-11,16,19H,12-15,17-18H2,1-5H3,(H,28,32)/p+1