(2R)-N-(4-ethanoylphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)propionamide Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17(22(27)23-21-10-8-20(9-11-21)18(2)26)25-14-12-24(13-15-25)16-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,23,27)/p+2/t17-/m1/s1