N-(3-chloranyl-4-methyl-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-cyclohexyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide Formula: C18H27ClN3O+ MolecularWeight: 336.87948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)C3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)C3CCCCC3)Cl

InChI

InChI=1S/C18H26ClN3O/c1-14-7-8-15(13-17(14)19)20-18(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12H2,1H3,(H,20,23)/p+1