N-(2-methoxyethyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-(2-methoxyethyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(2-methoxyethyl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(2-methoxyethyl)-3-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(2-methoxyethyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(2-methoxyethyl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C3CCSC3

Isomeric SMILES

COCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)[C@H]3CCSC3

InChI

InChI=1S/C19H28N2O3S/c1-23-11-8-20-19(22)15-3-2-4-18(13-15)24-17-5-9-21(10-6-17)16-7-12-25-14-16/h2-4,13,16-17H,5-12,14H2,1H3,(H,20,22)/p+1/t16-/m0/s1