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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[1-[4-(cyclopentylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1S)-2-amino-1-benzyl-2-oxo-ethyl]-[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[1-[4-[[cyclopentyl(oxo)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[1-[4-(cyclopentanecarbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [(1S)-2-amino-1-benzyl-2-keto-ethyl]-[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]ammonium Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH2+]C(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH2+][C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H34N4O2/c27-25(31)24(18-19-6-2-1-3-7-19)28-22-14-16-30(17-15-22)23-12-10-21(11-13-23)29-26(32)20-8-4-5-9-20/h1-3,6-7,10-13,20,22,24,28H,4-5,8-9,14-18H2,(H2,27,31)(H,29,32)/p+1/t24-/m0/s1