N-phenethyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N-phenethyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-phenethyl-N'-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N-phenethyl-N'-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-phenethyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N-phenethyl-N'-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NCCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NCCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c25-20(22-11-8-17-5-2-1-3-6-17)21(26)23-15-18-9-12-24(13-10-18)16-19-7-4-14-27-19/h1-7,14,18H,8-13,15-16H2,(H,22,25)(H,23,26)/p+1