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

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]propionamide Formula: C19H24N4OS+2 MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

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