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

Systemtic Name: 4-tert-butyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,2,3-triazol-1-yl]propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-triazolyl]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]propyl]benzamide Formula: C22H33N6O2+ MolecularWeight: 413.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H32N6O2/c1-22(2,3)18-8-6-17(7-9-18)20(29)23-10-5-11-28-16-19(24-25-28)21(30)27-14-12-26(4)13-15-27/h6-9,16H,5,10-15H2,1-4H3,(H,23,29)/p+1