bis[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-(4-phenylcyclohexyl)azanium

Systemtic Name: bis[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-(4-phenylcyclohexyl)azanium Openeye Name: bis[2-oxo-2-(prop-2-ynylamino)ethyl]-(4-phenylcyclohexyl)ammonium CAS Name: bis[2-oxo-2-(prop-2-ynylamino)ethyl]-(4-phenylcyclohexyl)ammonium IUPAC Name: bis[2-oxo-2-(prop-2-ynylamino)ethyl]-(4-phenylcyclohexyl)azanium Traditional Name: bis[2-keto-2-(propargylamino)ethyl]-(4-phenylcyclohexyl)ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+](CC(=O)NCC#C)C1CCC(CC1)C2=CC=CC=C2

Isomeric SMILES

C#CCNC(=O)C[NH+](CC(=O)NCC#C)C1CCC(CC1)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2/c1-3-14-23-21(26)16-25(17-22(27)24-15-4-2)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h1-2,5-9,19-20H,10-17H2,(H,23,26)(H,24,27)/p+1