[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(3-methyl-2-quinoxalinyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H25N3OS/c1-16-22(25-21-8-4-3-7-20(21)24-16)15-26-13-5-6-18(14-26)23(27)17-9-11-19(28-2)12-10-17/h3-4,7-12,18H,5-6,13-15H2,1-2H3/p+1/t18-/m0/s1