cyclopropyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: cyclopropyl-[2-oxo-2-(prop-2-ynylamino)ethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-oxo-2-(prop-2-ynylamino)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: cyclopropyl-(4-isopropylbenzyl)-[2-keto-2-(propargylamino)ethyl]ammonium Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NCC#C)C2CC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NCC#C)C2CC2

InChI

InChI=1S/C18H24N2O/c1-4-11-19-18(21)13-20(17-9-10-17)12-15-5-7-16(8-6-15)14(2)3/h1,5-8,14,17H,9-13H2,2-3H3,(H,19,21)/p+1