(2R,3S)-3-azanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenyl-butan-2-ol

Systemtic Name: (2R,3S)-3-azanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenyl-butan-2-ol Openeye Name: (2R,3S)-3-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenyl-butan-2-ol CAS Name: (2R,3S)-3-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-phenyl-2-butanol IUPAC Name: (2R,3S)-3-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenylbutan-2-ol Traditional Name: (2R,3S)-3-amino-4-phenyl-1-(4-piperonylpiperazino)butan-2-ol Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(C(CC4=CC=CC=C4)N)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C[C@H]([C@H](CC4=CC=CC=C4)N)O

InChI

InChI=1S/C22H29N3O3/c23-19(12-17-4-2-1-3-5-17)20(26)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)28-16-27-21/h1-7,13,19-20,26H,8-12,14-16,23H2/t19-,20+/m0/s1