4-tert-butyl-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-tert-butyl-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28ClN3O/c1-22(2,3)17-7-5-16(6-8-17)21(27)24-19-15-18(23)9-10-20(19)26-13-11-25(4)12-14-26/h5-10,15H,11-14H2,1-4H3,(H,24,27)/p+1