methyl-[(4-methylsulfanylphenyl)methyl]-[(3-morpholin-4-ylcarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(3-morpholin-4-ylcarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]azanium Openeye Name: [2-hydroxy-3-(morpholine-4-carbonyl)-1-naphthyl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-hydroxy-3-[4-morpholinyl(oxo)methyl]-1-naphthalenyl]methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-hydroxy-3-(morpholine-4-carbonyl)naphthalen-1-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-hydroxy-3-(morpholine-4-carbonyl)-1-naphthyl]methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C25H29N2O3S+ MolecularWeight: 437.57436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)O

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)O

InChI

InChI=1S/C25H28N2O3S/c1-26(16-18-7-9-20(31-2)10-8-18)17-23-21-6-4-3-5-19(21)15-22(24(23)28)25(29)27-11-13-30-14-12-27/h3-10,15,28H,11-14,16-17H2,1-2H3/p+1