3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O3/c26-23(10-8-18-7-9-21-22(15-18)28-14-13-27-21)24-16-19-3-5-20(6-4-19)17-25-11-1-2-12-25/h3-7,9,15H,1-2,8,10-14,16-17H2,(H,24,26)/p+1