methyl-(naphthalen-1-ylmethyl)-[[3-[2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium

Systemtic Name: methyl-(naphthalen-1-ylmethyl)-[[3-[2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium Openeye Name: methyl-(1-naphthylmethyl)-[[3-[2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]ammonium CAS Name: methyl-(1-naphthalenylmethyl)-[[3-[2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]ethoxy]phenyl]methyl]ammonium IUPAC Name: methyl-(naphthalen-1-ylmethyl)-[[3-[2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]azanium Traditional Name: [3-[2-(4-isonicotinoylpiperazin-1-ium-1-yl)ethoxy]benzyl]-methyl-(1-naphthylmethyl)ammonium Formula: C31H36N4O2+2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H34N4O2/c1-33(24-28-9-5-8-26-7-2-3-11-30(26)28)23-25-6-4-10-29(22-25)37-21-20-34-16-18-35(19-17-34)31(36)27-12-14-32-15-13-27/h2-15,22H,16-21,23-24H2,1H3/p+2