N-methylmethanamine; N-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]ethanamine; dihydrochloride

Systemtic Name: N-methylmethanamine; N-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]ethanamine; dihydrochloride Openeye Name: N-methylmethanamine; N-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]ethanamine; dihydrochloride CAS Name: N-methylmethanamine; N-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]ethanamine; dihydrochloride IUPAC Name: N-methylmethanamine; N-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]ethanamine; dihydrochloride Traditional Name: dimethylamine; ethyl-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]amine; dihydrochloride Formula: C19H25Cl2N3O3 MolecularWeight: 414.3261

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)[N+](=O)[O-].CNC.Cl.Cl

Isomeric SMILES

CCNCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)[N+](=O)[O-].CNC.Cl.Cl

InChI

InChI=1S/C17H16N2O3.C2H7N.2ClH/c1-2-18-11-12-8-9-15-14(10-12)16(17(22-15)19(20)21)13-6-4-3-5-7-13;1-3-2;;/h3-10,18H,2,11H2,1H3;3H,1-2H3;2*1H