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

Systemtic Name: 3-chloranyl-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 3-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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