4-(morpholin-4-ium-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Openeye Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide CAS Name: 4-(4-morpholin-4-iumylmethyl)-N-[4-[(phenylthio)methyl]phenyl]benzamide IUPAC Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[4-[(phenylthio)methyl]phenyl]benzamide Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2S/c28-25(22-10-6-20(7-11-22)18-27-14-16-29-17-15-27)26-23-12-8-21(9-13-23)19-30-24-4-2-1-3-5-24/h1-13H,14-19H2,(H,26,28)/p+1