1-[2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)C(=O)N)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)C(=O)N)OCO2

InChI

InChI=1S/C16H21N3O4/c1-10-6-13-14(23-9-22-13)7-12(10)18-15(20)8-19-4-2-11(3-5-19)16(17)21/h6-7,11H,2-5,8-9H2,1H3,(H2,17,21)(H,18,20)/p+1