3-[2-(1-isoquinolin-1-ylpiperazin-1-ium-1-yl)ethyl]-1-methyl-6-(2-methylphenyl)pyrimidine-2,4-dione

Systemtic Name: 3-[2-(1-isoquinolin-1-ylpiperazin-1-ium-1-yl)ethyl]-1-methyl-6-(2-methylphenyl)pyrimidine-2,4-dione Openeye Name: 3-[2-[1-(1-isoquinolyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-6-(o-tolyl)pyrimidine-2,4-dione CAS Name: 3-[2-[1-(1-isoquinolinyl)-1-piperazin-1-iumyl]ethyl]-1-methyl-6-(2-methylphenyl)pyrimidine-2,4-dione IUPAC Name: 3-[2-(1-isoquinolin-1-ylpiperazin-1-ium-1-yl)ethyl]-1-methyl-6-(2-methylphenyl)pyrimidine-2,4-dione Traditional Name: 3-[2-[1-(1-isoquinolyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-6-(o-tolyl)pyrimidine-2,4-quinone Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=O)N(C(=O)N2C)CC[N+]3(CCNCC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=O)N(C(=O)N2C)CC[N+]3(CCNCC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H30N5O2/c1-20-7-3-5-9-22(20)24-19-25(33)31(27(34)30(24)2)15-18-32(16-13-28-14-17-32)26-23-10-6-4-8-21(23)11-12-29-26/h3-12,19,28H,13-18H2,1-2H3/q+1