(4-methylsulfanylphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: [4-(methylthio)phenyl]-[(3S)-1-(5-quinoxalinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C22H23N3OS/c1-27-19-9-7-16(8-10-19)22(26)18-5-3-13-25(15-18)14-17-4-2-6-20-21(17)24-12-11-23-20/h2,4,6-12,18H,3,5,13-15H2,1H3/p+1/t18-/m0/s1