5-[(2S)-1-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[2-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[2-(4-methylpiperazin-4-ium-1-yl)benzyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H30N4OS+2 MolecularWeight: 386.5541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C[NH+]3CCCC3C4=CC=C(S4)C(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2C[NH+]3CCC[C@H]3C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C21H28N4OS/c1-23-11-13-24(14-12-23)17-6-3-2-5-16(17)15-25-10-4-7-18(25)19-8-9-20(27-19)21(22)26/h2-3,5-6,8-9,18H,4,7,10-15H2,1H3,(H2,22,26)/p+2/t18-/m0/s1