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

Systemtic Name: (4-nitrophenyl)-piperidin-1-ium-1-ylidene-methanamine Openeye Name: (4-nitrophenyl)-piperidin-1-ium-1-ylidene-methanamine CAS Name: (4-nitrophenyl)-(1-piperidin-1-iumylidene)methanamine IUPAC Name: (4-nitrophenyl)-piperidin-1-ium-1-ylidenemethanamine Traditional Name: [(4-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=C(C=C2)[N+](=O)[O-])N)CC1

Isomeric SMILES

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

InChI

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