1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-piperonyl-ammonium Formula: C23H23N2O3+ MolecularWeight: 375.44032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O3/c1-16-7-10-19(11-8-16)25-23(26)22(18-5-3-2-4-6-18)24-14-17-9-12-20-21(13-17)28-15-27-20/h2-13,22,24H,14-15H2,1H3,(H,25,26)/p+1/t22-/m0/s1