1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]-piperonyl-ammonium Formula: C16H20N3O4+ MolecularWeight: 318.3477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N3O4/c1-3-12(16(20)18-15-6-10(2)23-19-15)17-8-11-4-5-13-14(7-11)22-9-21-13/h4-7,12,17H,3,8-9H2,1-2H3,(H,18,19,20)/p+1/t12-/m0/s1