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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C17H24ClN4O2+ MolecularWeight: 351.85106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl

InChI

InChI=1S/C17H23ClN4O2/c1-12-2-3-14(10-15(12)18)20-17(24)22-8-6-21(7-9-22)11-16(23)19-13-4-5-13/h2-3,10,13H,4-9,11H2,1H3,(H,19,23)(H,20,24)/p+1