(3-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-m-anisyl-methyl-ammonium Formula: C20H28N4O2+2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O2/c1-22(15-17-6-5-7-18(14-17)26-2)16-20(25)24-12-10-23(11-13-24)19-8-3-4-9-21-19/h3-9,14H,10-13,15-16H2,1-2H3/p+2