4-nitro-1-oxidanidyl-N-phenoxy-N-(4-piperidin-1-ylbutyl)pyridin-1-ium-2-amine

Systemtic Name: 4-nitro-1-oxidanidyl-N-phenoxy-N-(4-piperidin-1-ylbutyl)pyridin-1-ium-2-amine Openeye Name: 4-nitro-1-oxido-N-phenoxy-N-[4-(1-piperidyl)butyl]pyridin-1-ium-2-amine CAS Name: 4-nitro-1-oxido-N-phenoxy-N-[4-(1-piperidinyl)butyl]-2-pyridin-1-iumamine IUPAC Name: 4-nitro-1-oxido-N-phenoxy-N-(4-piperidin-1-ylbutyl)pyridin-1-ium-2-amine Traditional Name: (4-nitro-1-oxido-pyridin-1-ium-2-yl)-phenoxy-(4-piperidinobutyl)amine Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCN(C2=[N+](C=CC(=C2)[N+](=O)[O-])[O-])OC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCCCN(C2=[N+](C=CC(=C2)[N+](=O)[O-])[O-])OC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4/c25-22-16-11-18(24(26)27)17-20(22)23(28-19-9-3-1-4-10-19)15-8-7-14-21-12-5-2-6-13-21/h1,3-4,9-11,16-17H,2,5-8,12-15H2