[(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methylazanium

Systemtic Name: [(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methylazanium Openeye Name: [(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methylammonium CAS Name: [(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrrolidinyl]methylammonium IUPAC Name: [(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methylazanium Traditional Name: [(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methylammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N3CCC(C3)C[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N3CC[C@@H](C3)C[NH3+])OC1

InChI

InChI=1S/C14H20N2O2/c15-9-11-4-5-16(10-11)12-2-3-13-14(8-12)18-7-1-6-17-13/h2-3,8,11H,1,4-7,9-10,15H2/p+1/t11-/m1/s1