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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-11-3-4-12(10-17-11)16(19)18-13-5-6-14-15(9-13)21-8-2-7-20-14/h5-6,9,11-12,17H,2-4,7-8,10H2,1H3,(H,18,19)/p+1/t11-,12-/m0/s1