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

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-29(2)24-15-13-22(14-16-24)26(21-28-27(32)23-9-5-3-6-10-23)31-19-17-30(18-20-31)25-11-7-4-8-12-25/h3-16,26H,17-21H2,1-2H3,(H,28,32)/p+1/t26-/m0/s1