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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]-piperonyl-ammonium Formula: C23H22ClN2O3+ MolecularWeight: 409.88538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O3/c1-15-7-9-18(12-19(15)24)26-23(27)22(17-5-3-2-4-6-17)25-13-16-8-10-20-21(11-16)29-14-28-20/h2-12,22,25H,13-14H2,1H3,(H,26,27)/p+1/t22-/m0/s1