[(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-[4-(3-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=C1)OC2=CC=C(C=C2)C(C[NH3+])N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)[C@@H](C[NH3+])N3CC[NH+](CC3)C

InChI

InChI=1S/C20H27N3O/c1-16-4-3-5-19(14-16)24-18-8-6-17(7-9-18)20(15-21)23-12-10-22(2)11-13-23/h3-9,14,20H,10-13,15,21H2,1-2H3/p+2/t20-/m1/s1