4-tert-butyl-N-[2-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,2,3-triazol-1-yl]ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,2,3-triazol-1-yl]ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-triazolyl]ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]ethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]ethyl]benzamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H30N6O2/c1-21(2,3)17-7-5-16(6-8-17)19(28)22-9-10-27-15-18(23-24-27)20(29)26-13-11-25(4)12-14-26/h5-8,15H,9-14H2,1-4H3,(H,22,28)/p+1