3-chloranyl-N-cyclopentyl-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: 3-chloranyl-N-cyclopentyl-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: 3-chloro-N-cyclopentyl-4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: 3-chloro-N-cyclopentyl-4-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: 3-chloro-N-cyclopentyl-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: 3-chloro-N-cyclopentyl-4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C21H30ClN2O2S+ MolecularWeight: 409.9931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C4CCSC4)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)[C@H]4CCSC4)Cl

InChI

InChI=1S/C21H29ClN2O2S/c22-19-13-15(21(25)23-16-3-1-2-4-16)5-6-20(19)26-18-7-10-24(11-8-18)17-9-12-27-14-17/h5-6,13,16-18H,1-4,7-12,14H2,(H,23,25)/p+1/t17-/m0/s1