1-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-N-(3-oxidanylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-N-(3-oxidanylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-N-(3-hydroxypropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-N-(3-hydroxypropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-N-(3-hydroxypropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl]piperidin-1-ium-4-carboxamide Formula: C20H30N3O5+ MolecularWeight: 392.4693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)C(=O)NCCCO

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)C(=O)NCCCO

InChI

InChI=1S/C20H29N3O5/c1-14(23-8-5-16(6-9-23)20(26)21-7-2-10-24)19(25)22-12-15-3-4-17-18(11-15)28-13-27-17/h3-4,11,14,16,24H,2,5-10,12-13H2,1H3,(H,21,26)(H,22,25)/p+1/t14-/m0/s1