2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H26N2O3/c1-18-8-11-21(12-9-18)26-25(28)24(20-6-4-3-5-7-20)27(2)17-19-10-13-22-23(16-19)30-15-14-29-22/h3-13,16,24H,14-15,17H2,1-2H3,(H,26,28)/p+1/t24-/m0/s1