(2S)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-4-25(20-8-6-5-7-9-20)22(26)18(2)23-14-16-24(17-15-23)19-10-12-21(27-3)13-11-19/h5-13,18H,4,14-17H2,1-3H3/p+1/t18-/m0/s1