3-bromanyl-4-ethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-bromo-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-bromo-4-ethoxy-benzamide Formula: C26H29BrN3O2+ MolecularWeight: 495.43136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C26H28BrN3O2/c1-2-32-25-13-8-21(18-24(25)27)26(31)28-22-9-11-23(12-10-22)30-16-14-29(15-17-30)19-20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3,(H,28,31)/p+1