2,5-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[(1-methyl-2-benzimidazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC[NH+]2CCOCC2)CC3=NC4=CC=CC=C4N3C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC[NH+]2CCOCC2)CC3=NC4=CC=CC=C4N3C)C

InChI

InChI=1S/C21H28N6O2/c1-16-14-19(25(3)23-16)21(28)27(9-8-26-10-12-29-13-11-26)15-20-22-17-6-4-5-7-18(17)24(20)2/h4-7,14H,8-13,15H2,1-3H3/p+1