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

Systemtic Name: 1-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N2OS/c1-16(24)21-11-17(15-25-21)12-22-9-4-7-20(14-22)23-10-8-18-5-2-3-6-19(18)13-23/h2-3,5-6,11,15,20H,4,7-10,12-14H2,1H3/p+1/t20-/m0/s1