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

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pentan-2-amine Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pentan-2-amine CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-methyl-2-pentanamine IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylpentan-2-amine Traditional Name: [(1S)-3-methyl-1-[(4-piperonylpiperazino)methyl]butyl]amine Formula: C18H29N3O2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-14(2)9-16(19)12-21-7-5-20(6-8-21)11-15-3-4-17-18(10-15)23-13-22-17/h3-4,10,14,16H,5-9,11-13,19H2,1-2H3/t16-/m0/s1