1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(3-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)18-7-5-6-16(14-18)15-19-12-8-17(9-13-19)20-10-3-1-2-4-11-20/h5-7,14,17H,1-4,8-13,15H2/p+2