3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(2-thienylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(2-thenyl)piperidin-1-ium-3-yl]methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CS2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CS2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H24N2OS/c23-20(22-11-9-16-5-1-2-6-17(16)14-22)18-7-3-10-21(13-18)15-19-8-4-12-24-19/h1-2,4-6,8,12,18H,3,7,9-11,13-15H2/p+1/t18-/m0/s1