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

Systemtic Name: N-methyl-1-(4-nitrophenyl)-1-piperidin-1-ium-1-ylidene-methanamine Openeye Name: N-methyl-1-(4-nitrophenyl)-1-piperidin-1-ium-1-ylidene-methanamine CAS Name: N-methyl-1-(4-nitrophenyl)-1-(1-piperidin-1-iumylidene)methanamine IUPAC Name: N-methyl-1-(4-nitrophenyl)-1-piperidin-1-ium-1-ylidenemethanamine Traditional Name: methyl-[(4-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]amine Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-14-13(15-9-3-2-4-10-15)11-5-7-12(8-6-11)16(17)18/h5-8H,2-4,9-10H2,1H3/p+1