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

Systemtic Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-3-veratryloxy-propan-2-ol Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(C[NH+]2CCN(CC2)C3=NC=CC=N3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC[C@H](C[NH+]2CCN(CC2)C3=NC=CC=N3)O)OC

InChI

InChI=1S/C20H28N4O4/c1-26-18-5-4-16(12-19(18)27-2)14-28-15-17(25)13-23-8-10-24(11-9-23)20-21-6-3-7-22-20/h3-7,12,17,25H,8-11,13-15H2,1-2H3/p+1/t17-/m0/s1