N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-piperonylamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3/c1-23(22(25)18-9-10-20-21(14-18)27-16-26-20)19-8-5-12-24(15-19)13-11-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3/p+1/t19-/m0/s1