1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]methanamine

Systemtic Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]methanamine Openeye Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine CAS Name: 1-[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]-N-[(2-phenyl-4-triazolyl)methyl]methanamine IUPAC Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2-phenyltriazol-4-yl)methyl]amine Formula: C16H24N5+ MolecularWeight: 286.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNCC2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H23N5/c1-2-20-10-6-9-16(20)13-17-11-14-12-18-21(19-14)15-7-4-3-5-8-15/h3-5,7-8,12,16-17H,2,6,9-11,13H2,1H3/p+1/t16-/m0/s1