N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propionamide Formula: C19H28ClN2OS+ MolecularWeight: 367.95642

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)C3CCSC3

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H27ClN2OS/c20-17-3-1-2-16(12-17)13-21-19(23)5-4-15-6-9-22(10-7-15)18-8-11-24-14-18/h1-3,12,15,18H,4-11,13-14H2,(H,21,23)/p+1/t18-/m0/s1