N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-m-anisyl-piperazin-4-ium-1-carboxamide Formula: C19H22BrClN3O2+ MolecularWeight: 439.75388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H21BrClN3O2/c1-26-16-4-2-3-14(11-16)13-23-7-9-24(10-8-23)19(25)22-18-6-5-15(20)12-17(18)21/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)/p+1