1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21ClN2O3/c1-13(19(23)21-10-14-3-6-16(20)7-4-14)22(2)11-15-5-8-17-18(9-15)25-12-24-17/h3-9,13H,10-12H2,1-2H3,(H,21,23)/p+1/t13-/m0/s1