N-methyl-4-[[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoylamino]methyl]benzamide

Systemtic Name: N-methyl-4-[[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoylamino]methyl]benzamide Openeye Name: N-methyl-4-[[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoylamino]methyl]benzamide CAS Name: N-methyl-4-[[[[[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]amino]methyl]benzamide IUPAC Name: N-methyl-4-[[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]methyl]benzamide Traditional Name: N-methyl-4-[[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoylamino]methyl]benzamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)NCC2=CC=C(C=C2)C(=O)NC)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)NCC2=CC=C(C=C2)C(=O)NC)C3=CC=CS3

InChI

InChI=1S/C22H30N4O2S/c1-16-9-11-26(12-10-16)19(20-4-3-13-29-20)15-25-22(28)24-14-17-5-7-18(8-6-17)21(27)23-2/h3-8,13,16,19H,9-12,14-15H2,1-2H3,(H,23,27)(H2,24,25,28)/p+1/t19-/m0/s1