N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclohexanecarboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclohexanecarboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclohexanecarboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclohexanecarboxamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(C2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3O2/c27-23(19-8-3-1-4-9-19)24-18-21(22-12-7-17-28-22)26-15-13-25(14-16-26)20-10-5-2-6-11-20/h2,5-7,10-12,17,19,21H,1,3-4,8-9,13-16,18H2,(H,24,27)/p+1/t21-/m1/s1