[4-[(2S)-3-azanyl-2-oxidanyl-propyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-[(2S)-3-azanyl-2-oxidanyl-propyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [4-[(2S)-3-amino-2-hydroxy-propyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-[(2S)-3-amino-2-hydroxypropyl]-1-piperazinyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-[(2S)-3-amino-2-hydroxypropyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-[(2S)-3-amino-2-hydroxy-propyl]piperazino]-(1,3-benzodioxol-5-yl)methanone Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN)O)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1C[C@H](CN)O)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O4/c16-8-12(19)9-17-3-5-18(6-4-17)15(20)11-1-2-13-14(7-11)22-10-21-13/h1-2,7,12,19H,3-6,8-10,16H2/t12-/m0/s1