4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C22H28ClN4O4+ MolecularWeight: 447.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O4/c1-30-19-14-16(13-18(23)21(19)31-15-20(24)28)22(29)25-7-8-26-9-11-27(12-10-26)17-5-3-2-4-6-17/h2-6,13-14H,7-12,15H2,1H3,(H2,24,28)(H,25,29)/p+1