[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-methyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O4/c1-23(12-16-14-27-19-6-2-3-7-20(19)28-16)13-18(25)15-10-17(22-11-15)21(26)24-8-4-5-9-24/h2-3,6-7,10-11,16,22H,4-5,8-9,12-14H2,1H3/p+1/t16-/m0/s1