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

Systemtic Name: 3,3-dimethyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 3,3-dimethyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: 3,3-dimethyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 3,3-dimethyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]butanamide Traditional Name: 3,3-dimethyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]butyramide Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c1-21(2,3)13-20(24)22-14-18(19-9-6-12-25-19)23-11-10-16-7-4-5-8-17(16)15-23/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,22,24)/p+1/t18-/m1/s1