(2R)-N-(3-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(3-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(=C1)C#N)[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

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