3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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