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

Systemtic Name: N'-(4-propan-2-ylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(4-isopropylphenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(4-propan-2-ylphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(4-propan-2-ylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-p-cumenyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C22H29N3O2S/c1-16(2)18-5-7-19(8-6-18)24-22(27)21(26)23-14-17-9-11-25(12-10-17)15-20-4-3-13-28-20/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1