N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(1-imidazolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-imidazol-1-ylbenzyl)piperazin-1-ium-1-yl]acetamide Formula: C20H30N5O+ MolecularWeight: 356.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C20H29N5O/c1-20(2,3)22-19(26)15-24-12-10-23(11-13-24)14-17-4-6-18(7-5-17)25-9-8-21-16-25/h4-9,16H,10-15H2,1-3H3,(H,22,26)/p+1