N1-(3-methylbutyl)-N1'-(1-nitroacridin-9-yl)propane-1,1-diamine dihydrochloride

Systemtic Name: N1-(3-methylbutyl)-N1'-(1-nitroacridin-9-yl)propane-1,1-diamine dihydrochloride Openeye Name: N1-isopentyl-N1'-(1-nitroacridin-9-yl)propane-1,1-diamine dihydrochloride CAS Name: N1-(3-methylbutyl)-N1'-(1-nitro-9-acridinyl)propane-1,1-diamine dihydrochloride IUPAC Name: 1-N-(3-methylbutyl)-1-N'-(1-nitroacridin-9-yl)propane-1,1-diamine dihydrochloride Traditional Name: isoamyl-[1-[(1-nitroacridin-9-yl)amino]propyl]amine dihydrochloride Formula: C21H28Cl2N4O2 MolecularWeight: 439.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCCC(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCC(NCCC(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C21H26N4O2.2ClH/c1-4-19(22-13-12-14(2)3)24-21-15-8-5-6-9-16(15)23-17-10-7-11-18(20(17)21)25(26)27;;/h5-11,14,19,22H,4,12-13H2,1-3H3,(H,23,24);2*1H