N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]propionamide Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC(C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(=O)NC[C@H](C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H22N2OS/c1-2-18(21)19-12-16(17-8-5-11-22-17)20-10-9-14-6-3-4-7-15(14)13-20/h3-8,11,16H,2,9-10,12-13H2,1H3,(H,19,21)/p+1/t16-/m1/s1