3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]azanium

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]azanium Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]ammonium CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]ammonium IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1R)-2-keto-1-phenyl-2-piperidino-ethyl]ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)[NH2+]C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)[NH2+]C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O3/c25-22(24-12-5-2-6-13-24)21(17-8-3-1-4-9-17)23-18-10-11-19-20(16-18)27-15-7-14-26-19/h1,3-4,8-11,16,21,23H,2,5-7,12-15H2/p+1/t21-/m1/s1