[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(C[NH3+])C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](C[NH3+])C3=CC=CC=C3

InChI

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