4-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]-1,2,3-triazol-1-yl]-N-propan-2-yl-piperidine-1-carboxamide

Systemtic Name: 4-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]-1,2,3-triazol-1-yl]-N-propan-2-yl-piperidine-1-carboxamide Openeye Name: N-isopropyl-4-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]triazol-1-yl]piperidine-1-carboxamide CAS Name: 4-[4-[[(2S)-2-phenyl-1-azetidin-1-iumyl]methyl]-1-triazolyl]-N-propan-2-yl-1-piperidinecarboxamide IUPAC Name: 4-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]triazol-1-yl]-N-propan-2-ylpiperidine-1-carboxamide Traditional Name: N-isopropyl-4-[4-[[(2S)-2-phenylazetidin-1-ium-1-yl]methyl]triazol-1-yl]piperidine-1-carboxamide Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCC(CC1)N2C=C(N=N2)C[NH+]3CCC3C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)N1CCC(CC1)N2C=C(N=N2)C[NH+]3CC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C21H30N6O/c1-16(2)22-21(28)25-11-8-19(9-12-25)27-15-18(23-24-27)14-26-13-10-20(26)17-6-4-3-5-7-17/h3-7,15-16,19-20H,8-14H2,1-2H3,(H,22,28)/p+1/t20-/m0/s1