(3-nitrophenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-nitrophenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[(3-nitrophenyl)methyl]ammonium CAS Name: (3-nitrophenyl)methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-nitrophenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-(3-nitrobenzyl)ammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O2/c1-12(2)17-8-6-14(7-9-17)16-11-13-4-3-5-15(10-13)18(19)20/h3-5,10,12,14,16H,6-9,11H2,1-2H3/p+2