1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidin-1-ium-4-amine

Systemtic Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidin-1-ium-4-amine Openeye Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidin-1-ium-4-amine CAS Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-piperidin-1-iumamine IUPAC Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidin-1-ium-4-amine Traditional Name: [1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidin-1-ium-4-yl]amine Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH+]3CCC(CC3)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH+]3CCC(CC3)N

InChI

InChI=1S/C16H24N2O2/c1-12(18-7-5-14(17)6-8-18)13-3-4-15-16(11-13)20-10-2-9-19-15/h3-4,11-12,14H,2,5-10,17H2,1H3/p+1/t12-/m0/s1