[2-[1,3-benzodioxol-4-ylmethyl-[(2R)-4-phenylbutan-2-yl]amino]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [2-[1,3-benzodioxol-4-ylmethyl-[(2R)-4-phenylbutan-2-yl]amino]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[1,3-benzodioxol-4-ylmethyl-[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[1,3-benzodioxol-4-ylmethyl-[(2R)-4-phenylbutan-2-yl]amino]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[1,3-benzodioxol-4-ylmethyl-[(2R)-4-phenylbutan-2-yl]amino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[1,3-benzodioxol-4-ylmethyl-[(1R)-1-methyl-3-phenyl-propyl]amino]-2-keto-ethyl]-dimethyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N(CC2=C3C(=CC=C2)OCO3)C(=O)C[NH+](C)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N(CC2=C3C(=CC=C2)OCO3)C(=O)C[NH+](C)C

InChI

InChI=1S/C22H28N2O3/c1-17(12-13-18-8-5-4-6-9-18)24(21(25)15-23(2)3)14-19-10-7-11-20-22(19)27-16-26-20/h4-11,17H,12-16H2,1-3H3/p+1/t17-/m1/s1