(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-butan-2-amine

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-butan-2-amine Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-butan-2-amine CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-2-butanamine IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methylbutan-2-amine Traditional Name: [(1S)-2-methyl-1-[(4-piperonylpiperazino)methyl]propyl]amine Formula: C17H27N3O2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC(C)[C@@H](CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C17H27N3O2/c1-13(2)15(18)11-20-7-5-19(6-8-20)10-14-3-4-16-17(9-14)22-12-21-16/h3-4,9,13,15H,5-8,10-12,18H2,1-2H3/t15-/m1/s1