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

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H28N4O/c1-18-9-10-19-6-2-3-8-21(19)26(18)22(27)17-25-14-12-24(13-15-25)16-20-7-4-5-11-23-20/h2-8,11,18H,9-10,12-17H2,1H3/p+1/t18-/m0/s1