[(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-17-5-2-6-18(8-7-17)10-13(16)12-3-4-14-15(9-12)20-11-19-14/h3-4,9,13H,2,5-8,10-11,16H2,1H3/p+2/t13-/m1/s1