2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O/c1-17-9-10-18-6-2-3-7-19(18)25(17)16-21(26)24-14-12-23(13-15-24)20-8-4-5-11-22-20/h2-8,11,17H,9-10,12-16H2,1H3/p+1/t17-/m0/s1