(3-iodanyl-5-nitro-phenyl)-piperidin-1-ium-1-ylidene-methanamine

Systemtic Name: (3-iodanyl-5-nitro-phenyl)-piperidin-1-ium-1-ylidene-methanamine Openeye Name: (3-iodo-5-nitro-phenyl)-piperidin-1-ium-1-ylidene-methanamine CAS Name: (3-iodo-5-nitrophenyl)-(1-piperidin-1-iumylidene)methanamine IUPAC Name: (3-iodo-5-nitrophenyl)-piperidin-1-ium-1-ylidenemethanamine Traditional Name: [(3-iodo-5-nitro-phenyl)-piperidin-1-ium-1-ylidene-methyl]amine Formula: C12H15IN3O2+ MolecularWeight: 360.17087

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C2=CC(=CC(=C2)I)[N+](=O)[O-])N)CC1

Isomeric SMILES

C1CC[N+](=C(C2=CC(=CC(=C2)I)[N+](=O)[O-])N)CC1

InChI

InChI=1S/C12H14IN3O2/c13-10-6-9(7-11(8-10)16(17)18)12(14)15-4-2-1-3-5-15/h6-8,14H,1-5H2/p+1