(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide

Systemtic Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propionamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C23H31N3O/c1-5-26(21-11-7-6-8-12-21)23(27)20(4)24-14-16-25(17-15-24)22-13-9-10-18(2)19(22)3/h6-13,20H,5,14-17H2,1-4H3/p+1/t20-/m0/s1