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

Systemtic Name: (2R)-N-(4-dimethylaminophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(4-dimethylaminophenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(4-dimethylaminophenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(4-dimethylaminophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(4-dimethylaminophenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]propionamide Formula: C20H30N4OS+2 MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-16(20(25)21-17-6-8-18(9-7-17)22(2)3)24-12-10-23(11-13-24)15-19-5-4-14-26-19/h4-9,14,16H,10-13,15H2,1-3H3,(H,21,25)/p+2/t16-/m1/s1