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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[4-(dimethylamino)benzyl]-N-methyl-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H32N4OS+2 MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-22(2)19-8-6-18(7-9-19)15-23(3)21(26)17-25-12-10-24(11-13-25)16-20-5-4-14-27-20/h4-9,14H,10-13,15-17H2,1-3H3/p+2