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

Systemtic Name: pyrrolidin-1-yl-[3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: pyrrolidin-1-yl-[3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-pyrrolidinyl-[3-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: pyrrolidin-1-yl-[3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: pyrrolidino-[3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C20H29N2O2S+ MolecularWeight: 361.52146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)C4CCSC4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)[C@H]4CCSC4

InChI

InChI=1S/C20H28N2O2S/c23-20(22-9-1-2-10-22)16-4-3-5-19(14-16)24-18-6-11-21(12-7-18)17-8-13-25-15-17/h3-5,14,17-18H,1-2,6-13,15H2/p+1/t17-/m0/s1