1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-pyrrolidinoanilino)ethyl]-methyl-piperonyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H25N3O3/c1-23(13-16-4-9-19-20(12-16)27-15-26-19)14-21(25)22-17-5-7-18(8-6-17)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-15H2,1H3,(H,22,25)/p+1