4-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]-N-(m-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(diethylamino)-2-oxoethyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(diethylamino)-2-keto-ethyl]-N-(m-tolyl)piperazin-4-ium-1-carboxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C18H28N4O2/c1-4-21(5-2)17(23)14-20-9-11-22(12-10-20)18(24)19-16-8-6-7-15(3)13-16/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,19,24)/p+1