methanesulfonate; 2-(4-propan-2-ylpiperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-1-ium-6-one

Systemtic Name: methanesulfonate; 2-(4-propan-2-ylpiperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-1-ium-6-one Openeye Name: 2-(4-isopropylpiperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-1-ium-6-one; methanesulfonate CAS Name: methanesulfonate; 2-(4-propan-2-yl-1-piperazinyl)-5H-benzo[c][1,5]naphthyridin-1-ium-6-one IUPAC Name: methanesulfonate; 2-(4-propan-2-ylpiperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-1-ium-6-one Traditional Name: 2-(4-isopropylpiperazino)-5H-benzo[c][1,5]naphthyridin-1-ium-6-one mesylate Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=[NH+]C3=C(C=C2)NC(=O)C4=CC=CC=C43.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)N1CCN(CC1)C2=[NH+]C3=C(C=C2)NC(=O)C4=CC=CC=C43.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H22N4O.CH4O3S/c1-13(2)22-9-11-23(12-10-22)17-8-7-16-18(21-17)14-5-3-4-6-15(14)19(24)20-16;1-5(2,3)4/h3-8,13H,9-12H2,1-2H3,(H,20,24);1H3,(H,2,3,4)