N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCC(C2=CC=CO2)[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2/c1-15-19(23-25(22-15)16-8-3-2-4-9-16)20(26)21-14-17(18-10-7-13-27-18)24-11-5-6-12-24/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,21,26)/p+1/t17-/m1/s1