1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine

Systemtic Name: 1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine Openeye Name: 1-[[5-(4-nitrophenyl)-2-furyl]methyl]-4-piperidin-1-ium-1-yl-piperidine CAS Name: 1-[[5-(4-nitrophenyl)-2-furanyl]methyl]-4-(1-piperidin-1-iumyl)piperidine IUPAC Name: 1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-piperidin-1-ium-1-ylpiperidine Traditional Name: 1-[[5-(4-nitrophenyl)-2-furyl]methyl]-4-piperidin-1-ium-1-yl-piperidine Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O3/c25-24(26)19-6-4-17(5-7-19)21-9-8-20(27-21)16-22-14-10-18(11-15-22)23-12-2-1-3-13-23/h4-9,18H,1-3,10-16H2/p+1