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

Systemtic Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-veratryloxy-propan-2-ol Formula: C17H29N2O4+ MolecularWeight: 325.42316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4/c1-18-6-8-19(9-7-18)11-15(20)13-23-12-14-4-5-16(21-2)17(10-14)22-3/h4-5,10,15,20H,6-9,11-13H2,1-3H3/p+1/t15-/m0/s1