4-tert-butyl-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C23H31ClN3O+ MolecularWeight: 400.96474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O/c1-5-26-12-14-27(15-13-26)21-11-10-19(16-20(21)24)25-22(28)17-6-8-18(9-7-17)23(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H,25,28)/p+1