1-phenethyl-N-[2-[(3S)-3-phenylpiperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenethyl-N-[2-[(3S)-3-phenylpiperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenethyl-N-[2-[(3S)-3-phenylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxamide CAS Name: 1-phenethyl-N-[2-[(3S)-3-phenyl-1-piperidin-1-iumyl]ethyl]-4-triazolecarboxamide IUPAC Name: 1-phenethyl-N-[2-[(3S)-3-phenylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxamide Traditional Name: 1-phenethyl-N-[2-[(3S)-3-phenylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c30-24(23-19-29(27-26-23)16-13-20-8-3-1-4-9-20)25-14-17-28-15-7-12-22(18-28)21-10-5-2-6-11-21/h1-6,8-11,19,22H,7,12-18H2,(H,25,30)/p+1/t22-/m1/s1