[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[(1S)-1,4-dimethylpentyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(C)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[NH2+][C@@H](C)CCC(C)C

InChI

InChI=1S/C18H29NO2/c1-13(2)5-6-14(3)19-15(4)7-8-16-9-10-17-18(11-16)21-12-20-17/h9-11,13-15,19H,5-8,12H2,1-4H3/p+1/t14-,15+/m0/s1