(3S)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O3/c24-21(20-15-25-18-5-1-2-6-19(18)26-20)22-13-16-7-9-17(10-8-16)14-23-11-3-4-12-23/h1-2,5-10,20H,3-4,11-15H2,(H,22,24)/p+1/t20-/m0/s1