[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]propyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(CC2=CC3=C(C=C2)OCO3)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](CC2=CC3=C(C=C2)OCO3)C[NH3+]

InChI

InChI=1S/C16H25N3O2/c1-18-4-6-19(7-5-18)11-14(10-17)8-13-2-3-15-16(9-13)21-12-20-15/h2-3,9,14H,4-8,10-12,17H2,1H3/p+2/t14-/m0/s1