1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-methyl-piperonyl-ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N2O4/c1-17-9-11-21(29-3)20(13-17)26-25(28)24(19-7-5-4-6-8-19)27(2)15-18-10-12-22-23(14-18)31-16-30-22/h4-14,24H,15-16H2,1-3H3,(H,26,28)/p+1/t24-/m0/s1