1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propan-1-one Formula: C21H31N2OS+ MolecularWeight: 359.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC3=CC=CC=C3C2)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H30N2OS/c24-21(23-13-9-18-3-1-2-4-19(18)15-23)6-5-17-7-11-22(12-8-17)20-10-14-25-16-20/h1-4,17,20H,5-16H2/p+1/t20-/m0/s1