[(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methylphenyl)ethyl]azanium Openeye Name: [(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(p-tolyl)ethyl]ammonium CAS Name: [(2R)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-(4-methylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methylphenyl)ethyl]azanium Traditional Name: [(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(p-tolyl)ethyl]ammonium Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH3+])[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH3+])[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H27N3O/c1-16-6-8-17(9-7-16)20(15-21)23-12-10-22(11-13-23)18-4-3-5-19(14-18)24-2/h3-9,14,20H,10-13,15,21H2,1-2H3/p+2/t20-/m0/s1