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

Systemtic Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenylmethoxyphenyl)ethyl]azanium Openeye Name: [(2S)-2-(3-benzyloxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-phenylmethoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenylmethoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(3-benzoxyphenyl)-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:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O/c1-22-10-12-23(13-11-22)20(15-21)18-8-5-9-19(14-18)24-16-17-6-3-2-4-7-17/h2-9,14,20H,10-13,15-16,21H2,1H3/p+2/t20-/m1/s1