5-chloranyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H23ClN2O3/c22-18-11-17(12-19-20(18)27-10-9-26-19)21(25)23-13-15-3-5-16(6-4-15)14-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10,13-14H2,(H,23,25)/p+1