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

Systemtic Name: N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(E)-cinnamyl]-N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-triazole-4-carboxamide CAS Name: N-[[(3R)-1-ethyl-3-pyrrolidin-1-iumyl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]-4-triazolecarboxamide IUPAC Name: N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide Traditional Name: 1-[(E)-cinnamyl]-N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-triazole-4-carboxamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)CN(C)C(=O)C2=CN(N=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CC[C@@H](C1)CN(C)C(=O)C2=CN(N=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O/c1-3-24-13-11-18(15-24)14-23(2)20(26)19-16-25(22-21-19)12-7-10-17-8-5-4-6-9-17/h4-10,16,18H,3,11-15H2,1-2H3/p+1/b10-7+/t18-/m1/s1