1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]-methyl-piperonyl-ammonium Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N[C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H22N2O3S/c1-24(13-16-9-10-18-19(12-16)27-15-26-18)14-21(25)23-22(20-8-5-11-28-20)17-6-3-2-4-7-17/h2-12,22H,13-15H2,1H3,(H,23,25)/p+1/t22-/m1/s1