N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C26H29N2O2S+ MolecularWeight: 433.58566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C26H28N2O2S/c1-20-17-22(19-31-24-5-3-2-4-6-24)9-12-25(20)27-26(29)23-10-7-21(8-11-23)18-28-13-15-30-16-14-28/h2-12,17H,13-16,18-19H2,1H3,(H,27,29)/p+1