1-[4-(2-chloranyl-4-nitro-phenoxy)phenyl]-N-methyl-1-piperidin-1-ium-1-ylidene-methanamine

Systemtic Name: 1-[4-(2-chloranyl-4-nitro-phenoxy)phenyl]-N-methyl-1-piperidin-1-ium-1-ylidene-methanamine Openeye Name: 1-[4-(2-chloro-4-nitro-phenoxy)phenyl]-N-methyl-1-piperidin-1-ium-1-ylidene-methanamine CAS Name: 1-[4-(2-chloro-4-nitrophenoxy)phenyl]-N-methyl-1-(1-piperidin-1-iumylidene)methanamine IUPAC Name: 1-[4-(2-chloro-4-nitrophenoxy)phenyl]-N-methyl-1-piperidin-1-ium-1-ylidenemethanamine Traditional Name: [[4-(2-chloro-4-nitro-phenoxy)phenyl]-piperidin-1-ium-1-ylidene-methyl]-methyl-amine Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=[N+]1CCCCC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CNC(=[N+]1CCCCC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O3/c1-21-19(22-11-3-2-4-12-22)14-5-8-16(9-6-14)26-18-10-7-15(23(24)25)13-17(18)20/h5-10,13H,2-4,11-12H2,1H3/p+1