3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]azanium

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ammonium CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azanium Traditional Name: [(1S)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ammonium Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH2+]C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH2+]C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H30N2O3/c1-18(25-21-8-9-22-23(17-21)29-15-5-14-28-22)24(27)26-12-10-20(11-13-26)16-19-6-3-2-4-7-19/h2-4,6-9,17-18,20,25H,5,10-16H2,1H3/p+1/t18-/m0/s1