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

Systemtic Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-phenoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]ammonium Formula: C19H27N3O+2 MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O/c1-21-10-12-22(13-11-21)19(15-20)16-6-5-9-18(14-16)23-17-7-3-2-4-8-17/h2-9,14,19H,10-13,15,20H2,1H3/p+2/t19-/m1/s1