1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H26N4O2/c27-21(25-15-13-24(14-16-25)20-7-3-4-11-23-20)8-9-22(28)26-12-10-18-5-1-2-6-19(18)17-26/h1-7,11H,8-10,12-17H2/p+1