1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C18H29N3O2+2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O2/c22-21(23)18-8-4-3-7-16(18)15-19-13-9-17(10-14-19)20-11-5-1-2-6-12-20/h3-4,7-8,17H,1-2,5-6,9-15H2/p+2