(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-propyl-propionamide Formula: C18H30N3O2+ MolecularWeight: 320.4497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC=C2OCC

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC=C2OCC

InChI

InChI=1S/C18H29N3O2/c1-4-10-19-18(22)15(3)20-11-13-21(14-12-20)16-8-6-7-9-17(16)23-5-2/h6-9,15H,4-5,10-14H2,1-3H3,(H,19,22)/p+1/t15-/m0/s1