(3-nitrophenyl)-piperidin-1-ium-1-ylidene-methanamine

Systemtic Name: (3-nitrophenyl)-piperidin-1-ium-1-ylidene-methanamine Openeye Name: (3-nitrophenyl)-piperidin-1-ium-1-ylidene-methanamine CAS Name: (3-nitrophenyl)-(1-piperidin-1-iumylidene)methanamine IUPAC Name: (3-nitrophenyl)-piperidin-1-ium-1-ylidenemethanamine Traditional Name: [(3-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]amine Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2/c13-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)15(16)17/h4-6,9,13H,1-3,7-8H2/p+1