N1-(2-azanylethyl)-N1-[(4-nitrophenyl)methyl]propane-1,2-diamine trihydrochloride

Systemtic Name: N1-(2-azanylethyl)-N1-[(4-nitrophenyl)methyl]propane-1,2-diamine trihydrochloride Openeye Name: N1-(2-aminoethyl)-N1-[(4-nitrophenyl)methyl]propane-1,2-diamine trihydrochloride CAS Name: N1-(2-aminoethyl)-N1-[(4-nitrophenyl)methyl]propane-1,2-diamine trihydrochloride IUPAC Name: 1-N-(2-aminoethyl)-1-N-[(4-nitrophenyl)methyl]propane-1,2-diamine trihydrochloride Traditional Name: 2-aminoethyl-(2-aminopropyl)-(4-nitrobenzyl)amine trihydrochloride Formula: C12H23Cl3N4O2 MolecularWeight: 361.69562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCN)CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl.Cl.Cl

Isomeric SMILES

CC(CN(CCN)CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl.Cl.Cl

InChI

InChI=1S/C12H20N4O2.3ClH/c1-10(14)8-15(7-6-13)9-11-2-4-12(5-3-11)16(17)18;;;/h2-5,10H,6-9,13-14H2,1H3;3*1H