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

Systemtic Name: 3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C24H35N2O+ MolecularWeight: 367.5475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H34N2O/c27-24(26-17-14-22-8-4-5-9-23(22)19-26)11-10-20-12-15-25(16-13-20)18-21-6-2-1-3-7-21/h1-2,4-5,8-9,20-21H,3,6-7,10-19H2/p+1/t21-/m1/s1