N-(3-chloranyl-4-methyl-phenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C17H26ClN4O2+ MolecularWeight: 353.86694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)Cl

InChI

InChI=1S/C17H25ClN4O2/c1-12(2)19-16(23)11-21-6-8-22(9-7-21)17(24)20-14-5-4-13(3)15(18)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,23)(H,20,24)/p+1