[(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)C(C[NH3+])N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)[C@@H](C[NH3+])N3CC[NH+](CC3)C

InChI

InChI=1S/C20H27N3O/c1-16-5-3-4-6-20(16)24-18-9-7-17(8-10-18)19(15-21)23-13-11-22(2)12-14-23/h3-10,19H,11-15,21H2,1-2H3/p+2/t19-/m1/s1