[1-[3-(cyclopropylcarbonylamino)phenyl]piperidin-4-yl]-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [1-[3-(cyclopropylcarbonylamino)phenyl]piperidin-4-yl]-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]-[1-[3-(cyclopropanecarbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [1-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]-4-piperidinyl]-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [1-[3-(cyclopropanecarbonylamino)phenyl]piperidin-4-yl]-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-methoxy-ethyl]-[1-[3-(cyclopropanecarbonylamino)phenyl]-4-piperidyl]ammonium Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C25H31N3O3/c1-31-25(30)23(16-18-6-3-2-4-7-18)26-20-12-14-28(15-13-20)22-9-5-8-21(17-22)27-24(29)19-10-11-19/h2-9,17,19-20,23,26H,10-16H2,1H3,(H,27,29)/p+1/t23-/m0/s1