4-chloranyl-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 4-chloro-N-[2-keto-2-(4-p-anisylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-28-19-8-2-16(3-9-19)15-24-10-12-25(13-11-24)20(26)14-23-21(27)17-4-6-18(22)7-5-17/h2-9H,10-15H2,1H3,(H,23,27)/p+1