(2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(4-methylphenoxy)propanamide

Systemtic Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(4-methylphenoxy)propanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(4-methylphenoxy)propanamide CAS Name: (2S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-(4-methylphenoxy)propanamide IUPAC Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-(4-methylphenoxy)propanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(4-methylphenoxy)propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)[C@H](C)OC3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O2/c1-5-25-12-14-26(15-13-25)20-8-11-22(18(3)16-20)24-23(27)19(4)28-21-9-6-17(2)7-10-21/h6-11,16,19H,5,12-15H2,1-4H3,(H,24,27)/p+1/t19-/m0/s1