N-(3-bromophenyl)-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-bromophenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-bromophenyl)-4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-carboxamide Formula: C19H22BrClN3O2+ MolecularWeight: 439.75388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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