4-bromanyl-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)ethyl]benzamide Openeye Name: 4-bromo-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)ethyl]benzamide CAS Name: 4-bromo-N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-methoxyphenyl)ethyl]benzamide IUPAC Name: 4-bromo-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)ethyl]benzamide Traditional Name: 4-bromo-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)ethyl]benzamide Formula: C22H29BrN3O2+ MolecularWeight: 447.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28BrN3O2/c1-3-25-12-14-26(15-13-25)21(17-6-10-20(28-2)11-7-17)16-24-22(27)18-4-8-19(23)9-5-18/h4-11,21H,3,12-16H2,1-2H3,(H,24,27)/p+1/t21-/m1/s1