(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-phenyl-propionamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-18(22(26)23-19-6-4-3-5-7-19)25-14-12-24(13-15-25)16-17-28-21-10-8-20(27-2)9-11-21/h3-11,18H,12-17H2,1-2H3,(H,23,26)/p+2/t18-/m1/s1