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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]-piperonyl-ammonium Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O4/c1-27-19-9-5-8-18(13-19)25-23(26)22(17-6-3-2-4-7-17)24-14-16-10-11-20-21(12-16)29-15-28-20/h2-13,22,24H,14-15H2,1H3,(H,25,26)/p+1/t22-/m0/s1