[(2S)-1-oxidanylidene-1-[(1-phenylcyclopentyl)methylamino]propan-2-yl]-dipropyl-azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1-phenylcyclopentyl)methylamino]propan-2-yl]-dipropyl-azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-dipropyl-ammonium CAS Name: [(2S)-1-oxo-1-[(1-phenylcyclopentyl)methylamino]propan-2-yl]-dipropylammonium IUPAC Name: [(2S)-1-oxo-1-[(1-phenylcyclopentyl)methylamino]propan-2-yl]-dipropylazanium Traditional Name: [(1S)-2-keto-1-methyl-2-[(1-phenylcyclopentyl)methylamino]ethyl]-dipropyl-ammonium Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C)C(=O)NCC1(CCCC1)C2=CC=CC=C2

Isomeric SMILES

CCC[NH+](CCC)[C@@H](C)C(=O)NCC1(CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C21H34N2O/c1-4-15-23(16-5-2)18(3)20(24)22-17-21(13-9-10-14-21)19-11-7-6-8-12-19/h6-8,11-12,18H,4-5,9-10,13-17H2,1-3H3,(H,22,24)/p+1/t18-/m0/s1