3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c26-23(11-9-19-8-10-21-22(15-19)28-17-27-21)24-20-7-4-13-25(16-20)14-12-18-5-2-1-3-6-18/h1-3,5-6,8,10,15,20H,4,7,9,11-14,16-17H2,(H,24,26)/p+1/t20-/m0/s1