1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Formula: C20H28N2O3+2 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)[NH+]3CC[NH2+]CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](C2=CC=CC=C2)[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C20H26N2O3/c1-23-17-13-16(14-18(24-2)20(17)25-3)19(15-7-5-4-6-8-15)22-11-9-21-10-12-22/h4-8,13-14,19,21H,9-12H2,1-3H3/p+2/t19-/m0/s1