4-tert-butyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C31H41N4O+ MolecularWeight: 485.68344

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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)N(C)C)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C31H40N4O/c1-31(2,3)26-15-11-25(12-16-26)30(36)32-23-29(24-13-17-27(18-14-24)33(4)5)35-21-19-34(20-22-35)28-9-7-6-8-10-28/h6-18,29H,19-23H2,1-5H3,(H,32,36)/p+1/t29-/m0/s1