2-[2-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[2-[(1S)-1-methylpropyl]phenoxy]acetamide CAS Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]acetamide IUPAC Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[2-[(1S)-1-methylpropyl]phenoxy]acetamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)CC)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)CC)C

InChI

InChI=1S/C25H35N3O2/c1-5-19(3)22-9-7-8-10-24(22)30-18-25(29)26-23-12-11-21(17-20(23)4)28-15-13-27(6-2)14-16-28/h7-12,17,19H,5-6,13-16,18H2,1-4H3,(H,26,29)/p+1/t19-/m0/s1