1-[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-piperidin-1-iumyl]-N-cyclopropyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperidin-1-ium-4-yl]-N-cyclopropylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide Formula: C25H39N3O3+2 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C[NH+]3CCC(CC3)[NH+]4CCC(CC4)C(=O)NC5CC5

Isomeric SMILES

C[C@@H](CC1=CC2=C(C=C1)OCO2)C[NH+]3CCC(CC3)[NH+]4CCC(CC4)C(=O)NC5CC5

InChI

InChI=1S/C25H37N3O3/c1-18(14-19-2-5-23-24(15-19)31-17-30-23)16-27-10-8-22(9-11-27)28-12-6-20(7-13-28)25(29)26-21-3-4-21/h2,5,15,18,20-22H,3-4,6-14,16-17H2,1H3,(H,26,29)/p+2/t18-/m0/s1