[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-dimethyl-azanium

Systemtic Name: [2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-dimethyl-azanium Openeye Name: [2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]indan-2-yl]-dimethyl-ammonium CAS Name: [2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1,3-dihydroinden-2-yl]-dimethylammonium IUPAC Name: [2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-dimethylazanium Traditional Name: [2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]indan-2-yl]-dimethyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CC2=CC=CC=C2C1)C(=O)NC(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C[NH+](C)C1(CC2=CC=CC=C2C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H25N3O2/c1-24(2)21(13-16-10-6-7-11-17(16)14-21)20(26)23-18(19(22)25)12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3,(H2,22,25)(H,23,26)/p+1/t18-/m0/s1