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

Systemtic Name: N-[5-ethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-morpholin-4-ium-4-yl(p-tolyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(4-methylphenyl)-(4-morpholin-4-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-morpholin-4-ium-4-yl(p-tolyl)methyl]-2-thienyl]benzamide Formula: C25H29N2O2S+ MolecularWeight: 421.57496

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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)C)[NH+]4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S/c1-3-21-17-22(25(30-21)26-24(28)20-7-5-4-6-8-20)23(27-13-15-29-16-14-27)19-11-9-18(2)10-12-19/h4-12,17,23H,3,13-16H2,1-2H3,(H,26,28)/p+1/t23-/m0/s1