1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium Openeye Name: 1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium CAS Name: 1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium Traditional Name: 1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)OC)N2CC[NH2+]CC2

InChI

InChI=1S/C14H22N2O2/c1-11(16-8-6-15-7-9-16)12-4-5-13(17-2)14(10-12)18-3/h4-5,10-11,15H,6-9H2,1-3H3/p+1/t11-/m0/s1