[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium

Systemtic Name: [(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O4S/c1-10(16(22)19-17-12(15(18)21)5-6-25-17)20(2)8-11-3-4-13-14(7-11)24-9-23-13/h3-7,10H,8-9H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t10-/m1/s1