[(2S)-2-(2,5-dimethoxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(2,5-dimethoxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(2,5-dimethoxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(2,5-dimethoxyphenyl)-2-(4-propyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(2,5-dimethoxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(2,5-dimethoxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(C[NH3+])C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@H](C[NH3+])C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C17H29N3O2/c1-4-7-19-8-10-20(11-9-19)16(13-18)15-12-14(21-2)5-6-17(15)22-3/h5-6,12,16H,4,7-11,13,18H2,1-3H3/p+2/t16-/m1/s1