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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(4-nitrobenzyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O2/c21-20(22)17-6-4-15(5-7-17)14-18-12-8-16(9-13-18)19-10-2-1-3-11-19/h4-7,16H,1-3,8-14H2/p+2