(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-cyano-2-thienyl)propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-cyano-2-thienyl)propionamide Formula: C19H24N4OS+2 MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4OS/c1-15(18(24)21-19-17(13-20)7-12-25-19)23-10-8-22(9-11-23)14-16-5-3-2-4-6-16/h2-7,12,15H,8-11,14H2,1H3,(H,21,24)/p+2/t15-/m1/s1