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

Systemtic Name: 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5H-benzo[c][1,5]naphthyridin-1-ium-6-one; methanesulfonate Openeye Name: 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5H-benzo[c][1,5]naphthyridin-1-ium-6-one; methanesulfonate CAS Name: 2-[4-(cyclopropylmethyl)-1-piperazinyl]-5H-benzo[c][1,5]naphthyridin-1-ium-6-one; methanesulfonate IUPAC Name: 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5H-benzo[c][1,5]naphthyridin-1-ium-6-one; methanesulfonate Traditional Name: 2-[4-(cyclopropylmethyl)piperazino]-5H-benzo[c][1,5]naphthyridin-1-ium-6-one mesylate Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CC1CN2CCN(CC2)C3=[NH+]C4=C(C=C3)NC(=O)C5=CC=CC=C54

Isomeric SMILES

CS(=O)(=O)[O-].C1CC1CN2CCN(CC2)C3=[NH+]C4=C(C=C3)NC(=O)C5=CC=CC=C54

InChI

InChI=1S/C20H22N4O.CH4O3S/c25-20-16-4-2-1-3-15(16)19-17(21-20)7-8-18(22-19)24-11-9-23(10-12-24)13-14-5-6-14;1-5(2,3)4/h1-4,7-8,14H,5-6,9-13H2,(H,21,25);1H3,(H,2,3,4)