(2S)-N-(4-ethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H29N3O/c1-4-19-8-10-20(11-9-19)23-22(26)18(3)24-12-14-25(15-13-24)21-7-5-6-17(2)16-21/h5-11,16,18H,4,12-15H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1