N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propionamide Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC3=C(C=C2)OCCO3)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H28N2O3S/c23-20(21-16-2-3-18-19(13-16)25-11-10-24-18)4-1-15-5-8-22(9-6-15)17-7-12-26-14-17/h2-3,13,15,17H,1,4-12,14H2,(H,21,23)/p+1/t17-/m0/s1