N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(E)-cinnamyl]-N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]triazole-4-carboxamide CAS Name: N-methyl-N-[[(2S)-1-methyl-2-pyrrolidin-1-iumyl]methyl]-1-[(E)-3-phenylprop-2-enyl]-4-triazolecarboxamide IUPAC Name: N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide Traditional Name: 1-[(E)-cinnamyl]-N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]triazole-4-carboxamide Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CN(C)C(=O)C2=CN(N=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC[C@H]1CN(C)C(=O)C2=CN(N=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O/c1-22-12-7-11-17(22)14-23(2)19(25)18-15-24(21-20-18)13-6-10-16-8-4-3-5-9-16/h3-6,8-10,15,17H,7,11-14H2,1-2H3/p+1/b10-6+/t17-/m0/s1