piperidin-1-yl-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[2-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-piperidinyl-[2-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[2-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C21H31N2O2S+ MolecularWeight: 375.54804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)C4CCSC4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)[C@H]4CCSC4

InChI

InChI=1S/C21H30N2O2S/c24-21(23-11-4-1-5-12-23)19-6-2-3-7-20(19)25-18-8-13-22(14-9-18)17-10-15-26-16-17/h2-3,6-7,17-18H,1,4-5,8-16H2/p+1/t17-/m0/s1