N-[(2S)-3,3-dimethyl-1-pyrrolidin-1-ium-1-yl-butan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

Systemtic Name: N-[(2S)-3,3-dimethyl-1-pyrrolidin-1-ium-1-yl-butan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide Openeye Name: N-[(1S)-2,2-dimethyl-1-(pyrrolidin-1-ium-1-ylmethyl)propyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide CAS Name: N-[(2S)-3,3-dimethyl-1-(1-pyrrolidin-1-iumyl)butan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide IUPAC Name: N-[(2S)-3,3-dimethyl-1-pyrrolidin-1-ium-1-ylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide Traditional Name: N-[(1S)-2,2-dimethyl-1-(pyrrolidin-1-ium-1-ylmethyl)propyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propionamide Formula: C16H30N5O+ MolecularWeight: 308.4423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)CCC(=O)NC(C[NH+]2CCCC2)C(C)(C)C

Isomeric SMILES

CC1=NC(=NN1)CCC(=O)N[C@H](C[NH+]2CCCC2)C(C)(C)C

InChI

InChI=1S/C16H29N5O/c1-12-17-14(20-19-12)7-8-15(22)18-13(16(2,3)4)11-21-9-5-6-10-21/h13H,5-11H2,1-4H3,(H,18,22)(H,17,19,20)/p+1/t13-/m1/s1