[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-pyrrolidin-1-ylethyl)azanium

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-pyrrolidin-1-ylethyl)azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-pyrrolidin-1-ylethyl)ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-[2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-pyrrolidin-1-ylethyl)azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-pyrrolidinoethyl)ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CCN3CCCC3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CCN3CCCC3

InChI

InChI=1S/C17H26N2O2/c1-14(18-7-10-19-8-2-3-9-19)15-5-6-16-17(13-15)21-12-4-11-20-16/h5-6,13-14,18H,2-4,7-12H2,1H3/p+1/t14-/m0/s1