(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-veratryloxy-propan-2-ol Formula: C18H31N2O4+ MolecularWeight: 339.44974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C18H30N2O4/c1-4-19-7-9-20(10-8-19)12-16(21)14-24-13-15-5-6-17(22-2)18(11-15)23-3/h5-6,11,16,21H,4,7-10,12-14H2,1-3H3/p+1/t16-/m0/s1