4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium-1-carbaldehyde Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C=O

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C=O

InChI

InChI=1S/C16H24N2O3/c1-13(18-8-6-17(12-19)7-9-18)10-14-4-5-15(20-2)16(11-14)21-3/h4-5,11-13H,6-10H2,1-3H3/p+1/t13-/m0/s1