methanesulfonic acid; N-(3-morpholin-4-ylpropyl)-1-nitro-acridin-9-amine

Systemtic Name: methanesulfonic acid; N-(3-morpholin-4-ylpropyl)-1-nitro-acridin-9-amine Openeye Name: methanesulfonic acid; N-(3-morpholinopropyl)-1-nitro-acridin-9-amine CAS Name: methanesulfonic acid; N-[3-(4-morpholinyl)propyl]-1-nitro-9-acridinamine IUPAC Name: methanesulfonic acid; N-(3-morpholin-4-ylpropyl)-1-nitroacridin-9-amine Traditional Name: mesylic acid; 3-morpholinopropyl-(1-nitroacridin-9-yl)amine Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1COCCN1CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)O.C1COCCN1CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3.CH4O3S/c25-24(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-23-11-13-27-14-12-23;1-5(2,3)4/h1-3,5-8H,4,9-14H2,(H,21,22);1H3,(H,2,3,4)