(3S)-1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C16H21N3O4/c1-10(19-6-2-3-11(8-19)15(17)20)16(21)18-12-4-5-13-14(7-12)23-9-22-13/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H2,17,20)(H,18,21)/p+1/t10-,11+/m1/s1