N-(5-chloranyl-2-methyl-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(5-chloro-2-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-carboxamide Formula: C19H23ClN3O+ MolecularWeight: 344.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3O/c1-15-7-8-17(20)13-18(15)21-19(24)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)/p+1