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

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-piperonylamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c1-24(23(26)19-11-12-21-22(15-19)28-17-27-21)20-10-6-14-25(16-20)13-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20H,5-6,9-10,13-14,16-17H2,1H3/p+1/t20-/m0/s1