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

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-4-26(22-8-6-5-7-9-22)23(28)18(2)24-14-16-25(17-15-24)21-12-10-20(11-13-21)19(3)27/h5-13,18H,4,14-17H2,1-3H3/p+1/t18-/m0/s1