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

Systemtic Name: [(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethyl]ammonium CAS Name: [(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-phenylethyl]ammonium IUPAC Name: [(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[4-(2-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=CC=C1N2CC[NH+](CC2)C(C[NH3+])C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O/c1-23-19-10-6-5-9-17(19)21-11-13-22(14-12-21)18(15-20)16-7-3-2-4-8-16/h2-10,18H,11-15,20H2,1H3/p+2/t18-/m1/s1