4-oxidanylidene-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-thiophen-2-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-thiophen-2-yl-butanamide Openeye Name: 4-oxo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-thiophen-2-ylbutanamide IUPAC Name: 4-oxo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-(2-thienyl)butyramide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-2-18(23-12-11-16-6-3-4-7-17(16)15-23)14-22-21(25)10-9-19(24)20-8-5-13-26-20/h3-8,13,18H,2,9-12,14-15H2,1H3,(H,22,25)/p+1/t18-/m1/s1