N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]isoxazole-3-carboxamide CAS Name: N-methyl-5-[(2-methyl-1-benzimidazolyl)methyl]-N-[[(2S)-1-methyl-2-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]isoxazole-3-carboxamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC(=NO3)C(=O)N(C)CC4CCCC[NH+]4C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC(=NO3)C(=O)N(C)C[C@@H]4CCCC[NH+]4C

InChI

InChI=1S/C21H27N5O2/c1-15-22-18-9-4-5-10-20(18)26(15)14-17-12-19(23-28-17)21(27)25(3)13-16-8-6-7-11-24(16)2/h4-5,9-10,12,16H,6-8,11,13-14H2,1-3H3/p+1/t16-/m0/s1