3,4-diethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3,4-diethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3,4-diethoxy-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3,4-diethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3,4-diethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCOCC3)OCC

InChI

InChI=1S/C21H28N2O4S/c1-3-26-18-8-7-16(14-19(18)27-4-2)21(24)22-15-17(20-6-5-13-28-20)23-9-11-25-12-10-23/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1