N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-morpholin-4-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ium-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-morpholin-4-ium-4-yl(p-phenetyl)methyl]-2-thienyl]benzamide Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)OCC)[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)OCC)[NH+]4CCOCC4

InChI

InChI=1S/C26H30N2O3S/c1-3-22-18-23(26(32-22)27-25(29)20-8-6-5-7-9-20)24(28-14-16-30-17-15-28)19-10-12-21(13-11-19)31-4-2/h5-13,18,24H,3-4,14-17H2,1-2H3,(H,27,29)/p+1/t24-/m0/s1