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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=C(C=C2)OCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=C(C=C2)OCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c22-20(26)16-28-19-8-6-17(7-9-19)21(27)23-10-11-24-12-14-25(15-13-24)18-4-2-1-3-5-18/h1-9H,10-16H2,(H2,22,26)(H,23,27)/p+1