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

Systemtic Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-methylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[(4-piperonylpiperazin-4-ium-1-yl)methyl]propyl]ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

CC(C)[C@@H](CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

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/p+2/t15-/m1/s1