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

Systemtic Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-(4-piperonylpiperazin-4-ium-1-carbonyl)propyl]ammonium Formula: C17H27N3O3+2 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C17H25N3O3/c1-12(2)16(18)17(21)20-7-5-19(6-8-20)10-13-3-4-14-15(9-13)23-11-22-14/h3-4,9,12,16H,5-8,10-11,18H2,1-2H3/p+2/t16-/m0/s1