(4-methoxyphenyl)-[1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-methoxyphenyl)-[1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-methoxyphenyl)-[1-[2-[(S)-phenylsulfinyl]ethyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-methoxyphenyl)-[1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-yl]methanone Formula: C21H26NO3S+ MolecularWeight: 372.50104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CCS(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC[S@](=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-25-19-9-7-17(8-10-19)21(23)18-11-13-22(14-12-18)15-16-26(24)20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3/p+1/t26-/m0/s1