(2R,6S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2R,6S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2R,6S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2R,6S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2R,6S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2R,6S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-piperidin-1-ium-2-carboxamide Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH2+]1)C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH2+]1)C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H22N2O3/c1-11-4-2-5-13(17-11)16(19)18-12-6-7-14-15(10-12)21-9-3-8-20-14/h6-7,10-11,13,17H,2-5,8-9H2,1H3,(H,18,19)/p+1/t11-,13+/m0/s1