N-(3-chloranyl-2-methyl-phenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O/c1-16-18(21)8-5-9-19(16)22-20(25)24-14-12-23(13-15-24)11-10-17-6-3-2-4-7-17/h2-9H,10-15H2,1H3,(H,22,25)/p+1