(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2,5-dimethylphenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H31N3O2/c1-5-28-22-9-7-6-8-21(22)26-14-12-25(13-15-26)19(4)23(27)24-20-16-17(2)10-11-18(20)3/h6-11,16,19H,5,12-15H2,1-4H3,(H,24,27)/p+1/t19-/m1/s1