1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-[methyl(phenyl)phosphoryl]piperazin-1-ium

Systemtic Name: 1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-[methyl(phenyl)phosphoryl]piperazin-1-ium Openeye Name: 1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-[methyl(phenyl)phosphoryl]piperazin-1-ium CAS Name: 1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-[methyl(phenyl)phosphoryl]piperazin-1-ium IUPAC Name: 1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-[methyl(phenyl)phosphoryl]piperazin-1-ium Traditional Name: 1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-[methyl(phenyl)phosphoryl]piperazin-1-ium Formula: C21H30N2O2P+ MolecularWeight: 373.448861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2(CCN(CC2)P(=O)(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2(CCN(CC2)P(=O)(C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H30N2O2P/c1-19-8-7-9-20(18-19)25-17-16-23(2)14-12-22(13-15-23)26(3,24)21-10-5-4-6-11-21/h4-11,18H,12-17H2,1-3H3/q+1