3-(1,3-benzodioxol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c26-23(11-9-18-8-10-21-22(14-18)28-17-27-21)24-15-19-4-6-20(7-5-19)16-25-12-2-1-3-13-25/h4-8,10,14H,1-3,9,11-13,15-17H2,(H,24,26)/p+1