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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-cyanophenyl)propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-cyanophenyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-cyanophenyl)propionamide Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-17(21(26)23-20-9-7-18(15-22)8-10-20)25-13-11-24(12-14-25)16-19-5-3-2-4-6-19/h2-10,17H,11-14,16H2,1H3,(H,23,26)/p+2/t17-/m1/s1