methanesulfonic acid; 1-nitro-N-[3-(4-oxidanidylmorpholin-4-ium-4-yl)propyl]acridin-9-amine

Systemtic Name: methanesulfonic acid; 1-nitro-N-[3-(4-oxidanidylmorpholin-4-ium-4-yl)propyl]acridin-9-amine Openeye Name: methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine CAS Name: methanesulfonic acid; 1-nitro-N-[3-(4-oxido-4-morpholin-4-iumyl)propyl]-9-acridinamine IUPAC Name: methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine Traditional Name: mesylic acid; (1-nitroacridin-9-yl)-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]amine Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1COCC[N+]1(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-]

Isomeric SMILES

CS(=O)(=O)O.C1COCC[N+]1(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H22N4O4.CH4O3S/c25-23(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-24(27)11-13-28-14-12-24;1-5(2,3)4/h1-3,5-8H,4,9-14H2,(H,21,22);1H3,(H,2,3,4)