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

Systemtic Name: 4-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2R)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c1-27(2,3)22-13-11-21(12-14-22)26(31)28-20-24(25-10-7-19-32-25)30-17-15-29(16-18-30)23-8-5-4-6-9-23/h4-14,19,24H,15-18,20H2,1-3H3,(H,28,31)/p+1/t24-/m1/s1