2-[2-ethyl-4-methyl-1-phenyl-2-[1-(1,2,4-triazol-1-yl)butyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2-ethyl-4-methyl-1-phenyl-2-[1-(1,2,4-triazol-1-yl)butyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[2-ethyl-4-methyl-1-phenyl-2-[1-(1,2,4-triazol-1-yl)butyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[2-ethyl-4-methyl-1-phenyl-2-[1-(1,2,4-triazol-1-yl)butyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[2-ethyl-4-methyl-1-phenyl-2-[1-(1,2,4-triazol-1-yl)butyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[2-ethyl-4-methyl-1-phenyl-2-[1-(1,2,4-triazol-1-yl)butyl]piperazin-1-ium-1-yl]acetamide Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(CN(CC[N+]1(CC(=O)N)C2=CC=CC=C2)C)CC)N3C=NC=N3

Isomeric SMILES

CCCC(C1(CN(CC[N+]1(CC(=O)N)C2=CC=CC=C2)C)CC)N3C=NC=N3

InChI

InChI=1S/C21H32N6O/c1-4-9-19(26-17-23-16-24-26)21(5-2)15-25(3)12-13-27(21,14-20(22)28)18-10-7-6-8-11-18/h6-8,10-11,16-17,19H,4-5,9,12-15H2,1-3H3,(H-,22,28)/p+1