4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C28H35N2O3S+ MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C28H34N2O3S/c1-28(2,3)23-10-12-24(13-11-23)33-20-21-6-8-22(9-7-21)27(31)29-19-25(26-5-4-18-34-26)30-14-16-32-17-15-30/h4-13,18,25H,14-17,19-20H2,1-3H3,(H,29,31)/p+1/t25-/m1/s1