4-bromanyl-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C22H24BrN4O2+ MolecularWeight: 456.35556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4O2/c23-20-7-5-19(6-8-20)22(29)25-10-9-21(28)27-13-11-26(12-14-27)16-18-3-1-17(15-24)2-4-18/h1-8H,9-14,16H2,(H,25,29)/p+1