4-tert-butyl-N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C24H33ClN3O+ MolecularWeight: 414.99132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C24H32ClN3O/c1-24(2,3)20-9-5-19(6-10-20)23(29)26-17-22(18-7-11-21(25)12-8-18)28-15-13-27(4)14-16-28/h5-12,22H,13-17H2,1-4H3,(H,26,29)/p+1/t22-/m1/s1