piperidin-1-yl-[4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-piperidinyl-[4-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)C4CCSC4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)[C@H]4CCSC4

InChI

InChI=1S/C21H30N2O2S/c24-21(23-11-2-1-3-12-23)17-4-6-19(7-5-17)25-20-8-13-22(14-9-20)18-10-15-26-16-18/h4-7,18,20H,1-3,8-16H2/p+1/t18-/m0/s1