N-tert-butyl-5-chloranyl-2-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-tert-butyl-5-chloranyl-2-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-tert-butyl-5-chloro-2-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-tert-butyl-5-chloro-2-[[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-tert-butyl-5-chloro-2-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-tert-butyl-5-chloro-2-[1-(3-thenyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C21H28ClN2O2S+ MolecularWeight: 407.97722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C=CC(=C1)Cl)OC2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C=CC(=C1)Cl)OC2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C21H27ClN2O2S/c1-21(2,3)23-20(25)18-12-16(22)4-5-19(18)26-17-6-9-24(10-7-17)13-15-8-11-27-14-15/h4-5,8,11-12,14,17H,6-7,9-10,13H2,1-3H3,(H,23,25)/p+1