4-[3-(4-methylpiperazine-1,4-diium-1-yl)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C23H29N5O2+2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C23H27N5O2/c1-26-13-15-27(16-14-26)12-6-10-24-17-20-18-7-2-3-8-19(18)22(29)28(23(20)30)21-9-4-5-11-25-21/h2-5,7-9,11,17,20H,6,10,12-16H2,1H3/p+2