N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-ium-1-yl]ethyl]-1-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-ium-1-yl]ethyl]-1-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-[(3R)-3-(o-tolyl)pyrrolidin-1-ium-1-yl]ethyl]-1-phenethyl-triazole-4-carboxamide CAS Name: N-[2-[(3R)-3-(2-methylphenyl)-1-pyrrolidin-1-iumyl]ethyl]-1-phenethyl-4-triazolecarboxamide IUPAC Name: N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-ium-1-yl]ethyl]-1-phenethyltriazole-4-carboxamide Traditional Name: N-[2-[(3R)-3-(o-tolyl)pyrrolidin-1-ium-1-yl]ethyl]-1-phenethyl-triazole-4-carboxamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC[NH+](C2)CCNC(=O)C3=CN(N=N3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[C@H]2CC[NH+](C2)CCNC(=O)C3=CN(N=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-19-7-5-6-10-22(19)21-12-14-28(17-21)16-13-25-24(30)23-18-29(27-26-23)15-11-20-8-3-2-4-9-20/h2-10,18,21H,11-17H2,1H3,(H,25,30)/p+1/t21-/m0/s1