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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-3-14(2)16(19)12-21-8-6-20(7-9-21)11-15-4-5-17-18(10-15)23-13-22-17/h4-5,10,14,16H,3,6-9,11-13,19H2,1-2H3/t14?,16-/m1/s1