N-[[(3R)-1-ethylpiperidin-1-ium-3-yl]methyl]-6-(2-methoxyethanoylamino)-N-methyl-3-phenethyl-benzimidazole-4-carboxamide

Systemtic Name: N-[[(3R)-1-ethylpiperidin-1-ium-3-yl]methyl]-6-(2-methoxyethanoylamino)-N-methyl-3-phenethyl-benzimidazole-4-carboxamide Openeye Name: N-[[(3R)-1-ethylpiperidin-1-ium-3-yl]methyl]-6-[(2-methoxyacetyl)amino]-N-methyl-3-phenethyl-benzimidazole-4-carboxamide CAS Name: N-[[(3R)-1-ethyl-3-piperidin-1-iumyl]methyl]-6-[(2-methoxy-1-oxoethyl)amino]-N-methyl-3-phenethyl-4-benzimidazolecarboxamide IUPAC Name: N-[[(3R)-1-ethylpiperidin-1-ium-3-yl]methyl]-6-[(2-methoxyacetyl)amino]-N-methyl-3-phenethylbenzimidazole-4-carboxamide Traditional Name: N-[[(3R)-1-ethylpiperidin-1-ium-3-yl]methyl]-6-[(2-methoxyacetyl)amino]-N-methyl-3-phenethyl-benzimidazole-4-carboxamide Formula: C28H38N5O3+ MolecularWeight: 492.63302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)CN(C)C(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)NC(=O)COC

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)CN(C)C(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)NC(=O)COC

InChI

InChI=1S/C28H37N5O3/c1-4-32-13-8-11-22(18-32)17-31(2)28(35)24-15-23(30-26(34)19-36-3)16-25-27(24)33(20-29-25)14-12-21-9-6-5-7-10-21/h5-7,9-10,15-16,20,22H,4,8,11-14,17-19H2,1-3H3,(H,30,34)/p+1/t22-/m1/s1