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

Systemtic Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H27N3OS/c1-3-26-21-9-5-4-8-20(21)24-22(26)16-25-14-6-7-18(15-25)23(27)17-10-12-19(28-2)13-11-17/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3/p+1/t18-/m0/s1